{"id":"https://openalex.org/W2884248928","doi":"https://doi.org/10.1186/s13321-018-0288-5","title":"Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanization","display_name":"Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanization","publication_year":2018,"publication_date":"2018-07-21","ids":{"openalex":"https://openalex.org/W2884248928","doi":"https://doi.org/10.1186/s13321-018-0288-5","mag":"2884248928","pmid":"https://pubmed.ncbi.nlm.nih.gov/30032331","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/6054832"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0288-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0288-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"type":"article","type_crossref":"journal-article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0288-5","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5027971106","display_name":"Obdulia Rabal","orcid":"https://orcid.org/0000-0002-3224-0987"},"institutions":[{"id":"https://openalex.org/I88155538","display_name":"Universidad de Navarra","ror":"https://ror.org/02rxc7m23","country_code":"ES","type":"funder","lineage":["https://openalex.org/I88155538"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Obdulia Rabal","raw_affiliation_strings":["Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain"],"affiliations":[{"raw_affiliation_string":"Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain","institution_ids":["https://openalex.org/I88155538"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026810375","display_name":"Andrea Castellar","orcid":null},"institutions":[{"id":"https://openalex.org/I88155538","display_name":"Universidad de Navarra","ror":"https://ror.org/02rxc7m23","country_code":"ES","type":"funder","lineage":["https://openalex.org/I88155538"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Andrea Castellar","raw_affiliation_strings":["Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain"],"affiliations":[{"raw_affiliation_string":"Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain","institution_ids":["https://openalex.org/I88155538"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081476843","display_name":"Julen Oyarz\u00e1bal","orcid":"https://orcid.org/0000-0003-1941-7255"},"institutions":[{"id":"https://openalex.org/I88155538","display_name":"Universidad de Navarra","ror":"https://ror.org/02rxc7m23","country_code":"ES","type":"funder","lineage":["https://openalex.org/I88155538"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Julen Oyarzabal","raw_affiliation_strings":["Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain"],"affiliations":[{"raw_affiliation_string":"Small Molecule Discovery Platform. Molecular Therapeutics Program, Center for Applied Medical Research, CIMA, University of Navarra, Pio XII, 55, 31008, Pamplona, Spain","institution_ids":["https://openalex.org/I88155538"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5027971106"],"corresponding_institution_ids":["https://openalex.org/I88155538"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.964,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":14,"citation_normalized_percentile":{"value":0.581987,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":89},"biblio":{"volume":"10","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10269","display_name":"Epigenetics and DNA Methylation","score":0.9971,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10269","display_name":"Epigenetics and DNA Methylation","score":0.9971,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T13157","display_name":"Cancer-related gene regulation","score":0.9961,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9728,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.7041559},{"id":"https://openalex.org/C41091548","wikidata":"https://www.wikidata.org/wiki/Q26939","display_name":"Epigenetics","level":3,"score":0.5898089},{"id":"https://openalex.org/C91965660","wikidata":"https://www.wikidata.org/wiki/Q415875","display_name":"Methyltransferase","level":4,"score":0.5781009},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5182983},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5006919},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41027027},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3433181},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3380453},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.32791018},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.26045024},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.13550979},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.09070781},{"id":"https://openalex.org/C33288867","wikidata":"https://www.wikidata.org/wiki/Q518328","display_name":"Methylation","level":3,"score":0.0}],"mesh":[],"locations_count":6,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0288-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0288-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":false,"landing_page_url":"https://doaj.org/article/7fc2e2566987484cbf22e578a7ad0e5d","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},{"is_oa":true,"landing_page_url":"https://europepmc.org/articles/pmc6054832","pdf_url":"https://europepmc.org/articles/pmc6054832?pdf=render","source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":["European Bioinformatics Institute"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://hdl.handle.net/10171/65384","pdf_url":"https://dadun.unav.edu/bitstream/10171/65384/1/s13321-018-0288-5.pdf","source":{"id":"https://openalex.org/S4306401514","display_name":"Deposito Adademico Digital Universidad De Navarra (University of Navarra)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I88155538","host_organization_name":"Universidad de Navarra","host_organization_lineage":["https://openalex.org/I88155538"],"host_organization_lineage_names":["Universidad de Navarra"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6054832","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30032331","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0288-5","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0288-5","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.78}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":37,"referenced_works":["https://openalex.org/W1501210482","https://openalex.org/W1970407818","https://openalex.org/W1975875968","https://openalex.org/W1978787457","https://openalex.org/W1981259598","https://openalex.org/W1988037271","https://openalex.org/W1989660072","https://openalex.org/W1991231915","https://openalex.org/W1997173542","https://openalex.org/W2004575181","https://openalex.org/W2013770157","https://openalex.org/W2020350008","https://openalex.org/W2029087609","https://openalex.org/W2069679575","https://openalex.org/W2100071542","https://openalex.org/W2106473601","https://openalex.org/W2119988496","https://openalex.org/W2139095203","https://openalex.org/W2158674200","https://openalex.org/W2165905267","https://openalex.org/W2167086539","https://openalex.org/W2168859815","https://openalex.org/W2229908198","https://openalex.org/W2302424742","https://openalex.org/W2323111624","https://openalex.org/W2513030442","https://openalex.org/W2528892253","https://openalex.org/W2548284604","https://openalex.org/W2565847227","https://openalex.org/W2582743722","https://openalex.org/W2602027562","https://openalex.org/W2612656366","https://openalex.org/W2618258562","https://openalex.org/W2762977512","https://openalex.org/W2808383264","https://openalex.org/W2810867544","https://openalex.org/W942989169"],"related_works":["https://openalex.org/W4386476622","https://openalex.org/W4366603091","https://openalex.org/W4316690323","https://openalex.org/W3147900171","https://openalex.org/W2979314934","https://openalex.org/W2770084104","https://openalex.org/W2146527561","https://openalex.org/W2089104969","https://openalex.org/W2079673688","https://openalex.org/W2059272320"],"abstract_inverted_index":{"Epigenetic":[0],"therapies":[1],"are":[2,27,49],"being":[3],"investigated":[4],"for":[5,73,203,256,296],"the":[6,18,42,58,64,68,74,77,90,110,124,137,150,205,229,270,297],"treatment":[7],"of":[8,57,63,70,76,80,113,126,133,139,152,165,168,207,232,245,273],"cancer,":[9],"cognitive":[10],"disorders,":[11],"metabolic":[12],"alterations":[13],"and":[14,97,136,170,191,277,281],"autoinmune":[15],"diseases.":[16],"Among":[17],"different":[19],"epigenetic":[20,81],"target":[21],"families,":[22],"protein":[23],"lysine":[24],"methyltransferases":[25],"(PKMTs),":[26],"especially":[28],"interesting":[29],"because":[30],"it":[31,101,250],"is":[32,83,87,102,146,248,251,263],"believed":[33],"that":[34,92,217,249],"their":[35,94],"inhibition":[36],"may":[37],"be":[38],"highly":[39],"specific":[40],"at":[41,196,291],"functional":[43],"level.":[44],"Despite":[45],"its":[46],"relevance,":[47],"there":[48],"currently":[50],"known":[51,88,140],"inhibitors":[52],"against":[53,142],"only":[54],"10":[55,292],"out":[56],"50":[59,233],"SET-domain":[60],"containing":[61],"members":[62],"PKMT":[65],"family.":[66],"Accordingly,":[67],"identification":[69],"chemical":[71],"probes":[72],"validation":[75],"therapeutic":[78],"impact":[79],"modulation":[82],"key.":[84],"Moreover,":[85],"little":[86],"about":[89],"mechanisms":[91],"dictate":[93],"substrate":[95,171],"specificity":[96],"ligand":[98,127,134,181,219],"selectivity.":[99],"Consequently,":[100],"desirable":[103],"to":[104,108,186,228,236,254],"explore":[105],"novel":[106],"methods":[107],"characterize":[109],"pharmacological":[111,238],"similarity":[112],"PKMTs,":[114],"going":[115],"beyond":[116],"classical":[117,223],"phylogenetic":[118],"relationships.":[119],"Such":[120],"characterization":[121],"would":[122],"enable":[123],"prediction":[125],"off-target":[128],"effects":[129],"caused":[130],"by":[131],"lack":[132],"selectivity":[135],"repurposing":[138],"compounds":[141],"alternative":[143],"targets.":[144],"This":[145],"particularly":[147],"relevant":[148,201],"in":[149],"case":[151],"orphan":[153,298],"targets":[154],"with":[155,174,260],"unreported":[156],"inhibitors.":[157],"Here,":[158],"we":[159],"first":[160],"perform":[161],"a":[162,200,212],"systematic":[163],"study":[164],"binding":[166,198],"modes":[167],"cofactor":[169],"bound":[172,261],"ligands":[173,262],"all":[175],"available":[176],"SET":[177],"domain-containing":[178],"PKMTs.":[179],"Protein":[180],"interaction":[182],"fingerprints":[183],"were":[184,294],"applied":[185,227],"identify":[187],"conserved":[188],"hot":[189],"spots":[190],"contact-specific":[192],"residues":[193],"across":[194],"subfamilies":[195],"each":[197],"site;":[199],"analysis":[202,272],"guiding":[204],"design":[206],"novel,":[208],"selective":[209],"compounds.":[210],"Then,":[211],"recently":[213],"described":[214],"methodology":[215],"(GPCR-CoINPocket)":[216],"incorporates":[218],"contact":[220],"information":[221],"into":[222],"alignment-based":[224],"comparisons":[225],"was":[226,279],"entire":[230],"family":[231,267],"SET-containing":[234],"proteins":[235,255],"devise":[237],"similarities":[239],"between":[240],"them.":[241],"The":[242,265],"main":[243],"advantage":[244],"this":[246],"approach":[247],"not":[252],"restricted":[253],"which":[257],"crystallographic":[258],"data":[259],"available.":[264],"resulting":[266],"organization":[268],"from":[269],"separate":[271],"both":[274],"sites":[275],"(cofactor":[276],"substrate)":[278],"retrospectively":[280],"prospectively":[282],"validated.":[283],"Of":[284],"note,":[285],"three":[286],"hits":[287],"(inhibition":[288],">":[289],"50%":[290],"\u00b5M)":[293],"identified":[295],"NSD1.":[299]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2884248928","counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1}],"updated_date":"2025-02-18T06:17:18.358361","created_date":"2018-08-03"}