Results
| Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 0.00846244 | 1 |
| 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) | 0.00542715 | 2 | |
| P24557 | Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1) | Cytochrome P450 family | TBXAS1 | 6916; | Homo sapiens (Human) | 0.00382517 | 3 | |
| P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 0.00362335 | 4 | |
| P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 0.00347077 | 5 | |
| P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.00129226 | 6 | |
| P48449 | Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC) | Terpene cyclase/mutase family | LSS | 4047; | Homo sapiens (Human) | 0.00127857 | 7 | |
| O75762 | Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ... | Transient receptor (TC 1.A.4) family | TRPA1 | 8989; | Homo sapiens (Human) | 0.00122534 | 8 | |
| P14324 | Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | FDPS | 2224; | Homo sapiens (Human) | 0.000912375 | 9 | |
| P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.000797341 | 10 | |
| P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 0.000781159 | 11 | |
| Q06187 | Tyrosine-protein kinase BTK (EC 2.7.10.2) (Agammaglobulinemia tyrosine kinase) (ATK) (B-cell ... | Protein kinase superfamily, Tyr protein kinase family, TEC subfamily | BTK | 695; | Homo sapiens (Human) | 0.000767675 | 12 | |
| P09917 | Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34) | Lipoxygenase family | ALOX5 | 240; | Homo sapiens (Human) | 0.000748459 | 13 | |
| P22455 | Fibroblast growth factor receptor 4 (FGFR-4) (EC 2.7.10.1) (CD antigen ... | Protein kinase superfamily, Tyr protein kinase family, Fibroblast growth factor ... | FGFR4 | 2264; | Homo sapiens (Human) | 0.000727523 | 14 | |
| Q16769 | Glutaminyl-peptide cyclotransferase (EC 2.3.2.5) (Glutaminyl cyclase) (QC) (sQC) (Glutaminyl-tRNA cyclotransferase) ... | Glutaminyl-peptide cyclotransferase family | QPCT | 25797; | Homo sapiens (Human) | 0.000723527 | 15 | |
| O43174 | Cytochrome P450 26A1 (EC 1.14.13.-) (Cytochrome P450 retinoic acid-inactivating 1) ... | Cytochrome P450 family | CYP26A1 | 1592; | Homo sapiens (Human) | 0.000690316 | 16 | |
| P10635 | Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ... | Cytochrome P450 family | CYP2D6 | 1565; | Homo sapiens (Human) | 0.000688681 | 17 | |
| Q14995 | Nuclear receptor subfamily 1 group D member 2 (Orphan nuclear ... | Nuclear hormone receptor family, NR1 subfamily | NR1D2 | 9975; | Homo sapiens (Human) | 0.000665405 | 18 | |
| P09874 | Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ... | PARP1 | 142; | Homo sapiens (Human) | 0.000659931 | 19 | ||
| Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 0.000648114 | 20 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 733 | 2021-01-15 15:39:22 | 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 |
