{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002615468,0.0001514857,0.0001475918,0.00009055227,0.0001252574,0.00003677934,0.00008222894,0.0001474803,0.000004130082],"category_scores_gemma":[0.0001013379,0.0001675997,0.00004197209,0.0001568148,0.0002751466,0.000007661991,0.00005172564,0.0000679169,6.18482e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001409175,"about_ca_system_score_gemma":0.00006114665,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004757695,"about_ca_topic_score_gemma":0.00002116035,"domain_scores_codex":[0.9989313,0.00008828655,0.000255505,0.0004005143,0.0001547527,0.0001695852],"domain_scores_gemma":[0.9993179,0.00002044432,0.00008860156,0.0002306194,0.0002564707,0.0000859985],"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":[0.00003683799,0.00009841612,0.001290401,0.00003531348,0.00003259097,4.357791e-7,0.0001032038,0.00003593068,0.9967079,0.00007853638,0.00003797721,0.001542428],"study_design_scores_gemma":[0.0004470147,0.0002456902,0.006158078,0.0000179688,0.00003482065,9.979852e-7,0.00002051273,0.001267339,0.9910472,0.00003569317,0.0005546241,0.0001700537],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8467031,0.0009846785,0.1516612,0.0002423393,0.00004043517,0.0002005139,0.00009882484,0.000009545154,0.00005946629],"genre_scores_gemma":[0.9976082,0.0001636893,0.001748892,0.0001105926,0.00004303767,0.00001635056,0.0002496357,0.00002409323,0.00003544597],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1509052,"threshold_uncertainty_score":0.683452,"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."}}