{"id":"W2337020460","doi":"10.1021/acs.jmedchem.5b01890","title":"Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2","year":2016,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":86,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"Structural Genomics Consortium; Wellcome Trust; Wellcome","keywords":"Methyltransferase; Methylation; Chemistry; In vivo; Histone methyltransferase; Lysine; Histone; Gene knockdown; Chemical biology; Biochemistry; Transferase; H3K4me3; Histone H3; Transcription (linguistics); Protein–protein interaction; Cell biology; Computational biology; Biology; Gene expression; Gene; Enzyme; Genetics; Amino acid; Promoter","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":[0.0004527779,0.0001031625,0.0001820836,0.00003188298,0.00002680894,0.000009180494,0.00007146344,0.00009155583,0.000002093049],"category_scores_gemma":[0.0001976919,0.00005811561,0.00004993309,0.0000559057,0.0001026214,0.000009723132,0.00001386883,0.00007361833,1.141185e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001705477,"about_ca_system_score_gemma":0.0001139978,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004093431,"about_ca_topic_score_gemma":0.000003801363,"domain_scores_codex":[0.9992434,0.00002758252,0.0003402097,0.0001319855,0.0001517826,0.0001050336],"domain_scores_gemma":[0.999356,0.00006252165,0.0002524577,0.00009172205,0.0001865902,0.00005072852],"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":[0.0005953599,0.00005239674,0.001833577,0.0001343068,0.00003776776,0.000001993934,0.00003549075,0.000003969899,0.9941922,0.000004182368,0.000003345575,0.003105368],"study_design_scores_gemma":[0.001825761,0.0004353621,0.007242308,0.0002176857,0.00005559887,0.00001133389,0.00003051551,0.00005777644,0.9896876,0.00009875891,0.0002647528,0.00007261064],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.954096,0.001091894,0.0434167,0.001126913,0.00002383146,0.0002064123,0.00002798941,8.429108e-7,0.000009418343],"genre_scores_gemma":[0.9985694,0.0006000833,0.0004611699,0.00003330638,0.0002138477,0.00001418544,0.00000806784,0.000009821529,0.00009008133],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04447344,"threshold_uncertainty_score":0.2369886,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006824531772269117,"score_gpt":0.232815037783348,"score_spread":0.2259905060110789,"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."}}