{"id":"W2791064483","doi":"10.3390/molecules23030567","title":"Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search","year":2018,"lang":"en","type":"article","venue":"Molecules","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"National Natural Science Foundation of China","keywords":"Epigenetics; Cancer research; Cell growth; Wnt signaling pathway; Biology; Histone methyltransferase; Histone H3; EZH2; Methyltransferase; Chemistry; Cell biology; Signal transduction; Biochemistry; Methylation","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001903001,0.0006116728,0.0007037896,0.0005435481,0.0001987877,0.000278546,0.0005678477,0.0003417131,0.001655203],"category_scores_gemma":[0.0002343889,0.0001969331,0.0005613784,0.0005152561,0.0001578788,0.0003285843,0.000350217,0.0005935676,0.000525791],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003049585,"about_ca_system_score_gemma":0.0002772818,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007174313,"about_ca_topic_score_gemma":0.001797399,"domain_scores_codex":[0.9998742,0.00001876784,0.00001001953,0.00002379198,0.00004596511,0.00002713587],"domain_scores_gemma":[0.9999385,0.000009982779,0.00001532402,0.000005496132,0.00001587606,0.00001483419],"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":[0.0005492981,0.000631709,0.0007528954,0.0008065604,0.0001240449,0.0004090261,0.00007721495,0.006617997,0.9523072,0.0006926361,0.001022716,0.0360087],"study_design_scores_gemma":[0.0004361439,0.004733333,0.002251805,0.00004470741,0.0002250268,0.0009358259,0.00009506596,0.02013328,0.9581826,0.0002967939,0.0125825,0.00008300804],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9543649,0.01406841,0.02014087,0.0004628866,0.00007253054,0.0006719727,0.002282814,0.0004456018,0.007490045],"genre_scores_gemma":[0.9648993,0.009497134,0.01812191,0.0002672677,0.00002498778,0.0002912832,0.002692183,0.00004478523,0.004161149],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001655203,"threshold_uncertainty_score":0.005537152,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01039931922973175,"score_gpt":0.2759086523579849,"score_spread":0.2655093331282531,"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."}}