Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 0.00103915 | 1 | |
Q8TDU6 | G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ... | G-protein coupled receptor 1 family | GPBAR1 | 151306; | Homo sapiens (Human) | 0.000804426 | 2 | |
P32249 | G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ... | G-protein coupled receptor 1 family | GPR183 | 1880; | Homo sapiens (Human) | 0.000771158 | 3 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000630483 | 4 | |
P04150 | Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | NR3C1 | 2908; | Homo sapiens (Human) | 0.000625007 | 5 | |
P04035 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34) | HMG-CoA reductase family | HMGCR | 3156; | Homo sapiens (Human) | 0.000624344 | 6 | |
P08185 | Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin) | Serpin family | SERPINA6 | 866; | Homo sapiens (Human) | 0.00051122 | 7 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.000508382 | 8 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 0.000495432 | 9 | |
P06401 | Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | PGR | 5241; | Homo sapiens (Human) | 0.000495227 | 10 | |
P18031 | Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ... | Protein-tyrosine phosphatase family, Non-receptor class 1 subfamily | PTPN1 | 5770; | Homo sapiens (Human) | 0.000481519 | 11 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 0.000476714 | 12 | |
P11473 | Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ... | Nuclear hormone receptor family, NR1 subfamily | VDR | 7421; | Homo sapiens (Human) | 0.000453009 | 13 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 0.000449271 | 14 | |
P35372 | Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ... | G-protein coupled receptor 1 family | OPRM1 | 4988; | Homo sapiens (Human) | 0.000433778 | 15 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.000413821 | 16 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.000404808 | 17 | |
Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 0.00037273 | 18 | |
P23526 | Adenosylhomocysteinase (AdoHcyase) (EC 3.3.1.1) (S-adenosyl-L-homocysteine hydrolase) | Adenosylhomocysteinase family | AHCY | 191; | Homo sapiens (Human) | 0.000363283 | 19 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000360418 | 20 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
727 | 2021-01-14 16:39:57 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Klekota-Roth (KR) | α = 0.4, β = 0.3, γ = -0.6, k = 2, Top 20 |