{"id":"W4387012175","doi":"10.1038/s41598-023-42997-z","title":"Discovery of Nedd4 auto-ubiquitination inhibitors","year":2023,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Ubiquitin and proteasome pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; Ontario Institute for Cancer Research; University of Toronto","funders":"Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Québec Consortium for Drug Discovery; Ontario Genomics; Genome Canada; McGill University; Genentech; Government of Ontario; Bayer; Bristol-Myers Squibb","keywords":"NEDD4; Ubiquitin ligase; Ubiquitin; Chemistry; Biochemistry; Drug discovery; Ubiquitin-Protein Ligases; DNA ligase; Small molecule; Cysteine; High-throughput screening; Cell biology; Enzyme; Biology; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000184781,0.0003653883,0.0003137591,0.0003121378,0.0001215491,0.0002597227,0.0003430237,0.0002730903,0.0009169535],"category_scores_gemma":[0.000103806,0.0001610923,0.0002228587,0.0001715339,0.00008996345,0.0001755613,0.0001811878,0.0003976704,0.000259491],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003305814,"about_ca_system_score_gemma":0.0001896818,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003766102,"about_ca_topic_score_gemma":0.0008895873,"domain_scores_codex":[0.9999195,0.00001194848,0.000006860535,0.00001895404,0.00002253962,0.00002011856],"domain_scores_gemma":[0.9999572,0.000005406206,0.000009939363,0.000004075894,0.00001177656,0.00001159825],"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":[0.0002256543,0.0003206307,0.0004597067,0.0001959574,0.00004563929,0.0002663423,0.00002393873,0.001599961,0.9724904,0.0008309052,0.0005943696,0.02294646],"study_design_scores_gemma":[0.0001720758,0.002155112,0.001461554,0.00002525598,0.00005718821,0.0005304732,0.00001469607,0.002973641,0.9793773,0.0001281308,0.01308928,0.00001535161],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.963729,0.01090478,0.01361327,0.0003192456,0.0001136468,0.0004567109,0.001320598,0.0002461979,0.00929656],"genre_scores_gemma":[0.9801984,0.005367523,0.007638678,0.000207661,0.0000168569,0.0001152764,0.001117047,0.00001609588,0.005322442],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009169535,"threshold_uncertainty_score":0.003067553,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01361106739235073,"score_gpt":0.2531130381717193,"score_spread":0.2395019707793686,"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."}}