Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P08684 | Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ... | Cytochrome P450 family | CYP3A4 | 1576; | Homo sapiens (Human) | 0.0276356 | Known |
P11712 | Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ... | Cytochrome P450 family | CYP2C9 | 1559; | Homo sapiens (Human) | 0.00719255 | 1 | |
P11509 | Cytochrome P450 2A6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIA6) (Coumarin 7-hydroxylase) ... | Cytochrome P450 family | CYP2A6 | 1548; | Homo sapiens (Human) | 0.00640896 | 2 | |
P33261 | Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ... | Cytochrome P450 family | CYP2C19 | 1557; | Homo sapiens (Human) | 0.00543963 | 3 | |
P05177 | Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ... | Cytochrome P450 family | CYP1A2 | 1544; | Homo sapiens (Human) | 0.00504324 | 4 | |
P20813 | Cytochrome P450 2B6 (EC 1.14.13.-) (1,4-cineole 2-exo-monooxygenase) (CYPIIB6) (Cytochrome P450 ... | Cytochrome P450 family | CYP2B6 | 1555; | Homo sapiens (Human) | 0.00465682 | 5 | |
P05093 | Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ... | Cytochrome P450 family | CYP17A1 | 1586; | Homo sapiens (Human) | 0.00462228 | 6 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.00455078 | 7 | |
P10635 | Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ... | Cytochrome P450 family | CYP2D6 | 1565; | Homo sapiens (Human) | 0.00448639 | 8 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.00431502 | 9 | |
P05181 | Cytochrome P450 2E1 (EC 1.14.13.-) (4-nitrophenol 2-hydroxylase) (EC 1.14.13.n7) (CYPIIE1) ... | Cytochrome P450 family | CYP2E1 | 1571; | Homo sapiens (Human) | 0.00373998 | 10 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 0.00333779 | 11 | |
Q9H3N8 | Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ... | G-protein coupled receptor 1 family | HRH4 | 59340; | Homo sapiens (Human) | 0.00322087 | 12 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.00314564 | 13 | |
P37059 | Estradiol 17-beta-dehydrogenase 2 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 2) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B2 | 3294; | Homo sapiens (Human) | 0.00291694 | 14 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.00285942 | 15 | |
P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.00262615 | 16 | |
P14061 | Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) (17-beta-hydroxysteroid dehydrogenase type 1) (17-beta-HSD ... | Short-chain dehydrogenases/reductases (SDR) family | HSD17B1 | 3292; | Homo sapiens (Human) | 0.00261398 | 17 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 0.00235794 | 18 | |
P32247 | Bombesin receptor subtype-3 (BRS-3) | G-protein coupled receptor 1 family | BRS3 | 680; | Homo sapiens (Human) | 0.00196555 | 19 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.00185247 | 20 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
732 | 2021-01-15 15:37:23 | 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 |