{"id":"W2960482792","doi":"10.1016/j.bmc.2019.07.020","title":"Identification and characterization of the first fragment hits for SETDB1 Tudor domain","year":2019,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; Janssen Pharmaceuticals; Natural Sciences and Engineering Research Council of Canada; Innovative Medicines Initiative; Novartis Pharma; Ontario Genomics Institute; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Genome Canada; Boehringer Ingelheim; AbbVie; Merck; Bayer; Pfizer","keywords":"Chemistry; Chromatin; Histone; Small molecule; Acetylation; Histone methyltransferase; Biochemistry; DNA; Gene","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001346945,0.00009832753,0.0001022081,0.000009401298,0.00004986849,0.000007247432,0.0001204974,0.0001441997,0.00004289936],"category_scores_gemma":[0.00003232499,0.00008068045,0.00004378553,0.00007724635,0.00005907775,0.000003433983,0.00005303836,0.00004577373,0.000002011458],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003351294,"about_ca_system_score_gemma":0.00006434374,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000241927,"about_ca_topic_score_gemma":0.000002557983,"domain_scores_codex":[0.9992921,0.000008907907,0.0002135699,0.0002403887,0.0001389853,0.0001060013],"domain_scores_gemma":[0.999406,0.000007114976,0.0001870691,0.0002897053,0.00007668495,0.00003343671],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00004638722,0.00001703254,0.001681116,0.0001614667,0.00002617274,3.519206e-8,0.00005452552,0.000001846499,0.9971622,0.000005692352,0.0002724903,0.0005710872],"study_design_scores_gemma":[0.0005819855,0.0000412897,0.03009284,0.00005595608,0.00003119707,0.00001020738,0.00005035309,0.00006575084,0.9579458,0.00002003494,0.01101953,0.00008508896],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975638,0.0002922732,0.0005611398,0.0009168217,0.0002185008,0.000356388,0.00003654127,0.000005928508,0.00004858953],"genre_scores_gemma":[0.9983973,0.00006169624,0.00002530562,0.00006860872,0.0002655571,0.00002063302,0.0002310911,0.00001545219,0.0009143864],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03921639,"threshold_uncertainty_score":0.3290053,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003532232391778017,"score_gpt":0.2029898833065339,"score_spread":0.1994576509147559,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}