Results
| Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 0.0146763 | 1 |
| P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.0114155 | 2 | |
| P24941 | Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamily | CDK2 | 1017; | Homo sapiens (Human) | 0.0070976 | 3 | |
| P06493 | Cyclin-dependent kinase 1 (CDK1) (EC 2.7.11.22) (EC 2.7.11.23) (Cell division ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamily | CDK1 | 983; | Homo sapiens (Human) | 0.00686781 | 4 | |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.00624087 | 5 | |
| P08913 | Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamily | ADRA2A | 150; | Homo sapiens (Human) | 0.00563581 | 6 | |
| P00352 | Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ... | Aldehyde dehydrogenase family | ALDH1A1 | 216; | Homo sapiens (Human) | 0.0056151 | 7 | |
| P00390 | Glutathione reductase, mitochondrial (GR) (GRase) (EC 1.8.1.7) | Class-I pyridine nucleotide-disulfide oxidoreductase family | GSR | 2936; | Homo sapiens (Human) | 0.00525085 | 8 | |
| P38398 | Breast cancer type 1 susceptibility protein (EC 2.3.2.27) (RING finger ... | BRCA1 | 672; | Homo sapiens (Human) | 0.0045059 | 9 | ||
| P16455 | Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) (6-O-methylguanine-DNA methyltransferase) (MGMT) (O-6-methylguanine-DNA-alkyltransferase) | MGMT family | MGMT | 4255; | Homo sapiens (Human) | 0.0041806 | 10 | |
| Q13535 | Serine/threonine-protein kinase ATR (EC 2.7.11.1) (Ataxia telangiectasia and Rad3-related protein) ... | PI3/PI4-kinase family, ATM subfamily | ATR | 545; | Homo sapiens (Human) | 0.00381182 | 11 | |
| P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 0.002946 | 12 | |
| P14902 | Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase) | Indoleamine 2,3-dioxygenase family | IDO1 | 3620; | Homo sapiens (Human) | 0.00279463 | 13 | |
| P31645 | Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily | SLC6A4 | 6532; | Homo sapiens (Human) | 0.00256524 | 14 | |
| P23975 | Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily | SLC6A2 | 6530; | Homo sapiens (Human) | 0.00249211 | 15 | |
| P08908 | 5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A) | G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily | HTR1A | 3350; | Homo sapiens (Human) | 0.00246621 | 16 | |
| P15056 | Serine/threonine-protein kinase B-raf (EC 2.7.11.1) (Proto-oncogene B-Raf) (p94) (v-Raf murine ... | Protein kinase superfamily, TKL Ser/Thr protein kinase family, RAF subfamily | BRAF | 673; | Homo sapiens (Human) | 0.00240784 | 17 | |
| P04049 | RAF proto-oncogene serine/threonine-protein kinase (EC 2.7.11.1) (Proto-oncogene c-RAF) (cRaf) (Raf-1) | Protein kinase superfamily, TKL Ser/Thr protein kinase family, RAF subfamily | RAF1 | 5894; | Homo sapiens (Human) | 0.00232775 | 18 | |
| P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 0.00217192 | 19 | |
| Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.00215157 | 20 | |
| Q01959 | Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily | SLC6A3 | 6531; | Homo sapiens (Human) | 0.00203625 | 21 | |
| P09960 | Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) | Peptidase M1 family | LTA4H | 4048; | Homo sapiens (Human) | 0.00201737 | 22 | |
| P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 0.0019452 | 23 | |
| P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 0.00183627 | 24 | |
| P28223 | 5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A) | G-protein coupled receptor 1 family | HTR2A | 3356; | Homo sapiens (Human) | 0.00181541 | 25 | |
| P28335 | 5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ... | G-protein coupled receptor 1 family | HTR2C | 3358; | Homo sapiens (Human) | 0.00181154 | 26 | |
| O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 0.00178465 | 27 | |
| P35968 | Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ... | Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily | KDR | 3791; | Homo sapiens (Human) | 0.00172866 | 28 | |
| P10635 | Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ... | Cytochrome P450 family | CYP2D6 | 1565; | Homo sapiens (Human) | 0.00170542 | 29 | |
| P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 0.00167332 | 30 | |
| P50406 | 5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6) | G-protein coupled receptor 1 family | HTR6 | 3362; | Homo sapiens (Human) | 0.00162646 | 31 | |
| 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) | 0.0015177 | 32 | |
| 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) | 0.00146546 | 33 | |
| P21728 | D(1A) dopamine receptor (Dopamine D1 receptor) | G-protein coupled receptor 1 family | DRD1 | 1812; | Homo sapiens (Human) | 0.00138922 | 34 | |
| P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 0.0013842 | 35 | |
| Q12809 | Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ... | Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily | KCNH2 | 3757; | Homo sapiens (Human) | 0.00136862 | 36 | |
| P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 0.00135761 | 37 | |
| 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) | 0.0013451 | 38 | |
| P00533 | Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ... | Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily | EGFR | 1956; | Homo sapiens (Human) | 0.00134097 | 39 | |
| P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 0.00127036 | 40 | |
| P41595 | 5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B) | G-protein coupled receptor 1 family | HTR2B | 3357; | Homo sapiens (Human) | 0.00120285 | 41 | |
| P11229 | Muscarinic acetylcholine receptor M1 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ... | CHRM1 | 1128; | Homo sapiens (Human) | 0.00116594 | 42 | |
| P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 0.0011424 | 43 | |
| 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) | 0.00113213 | 44 | |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ... | Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily | EHMT2 | 10919; | Homo sapiens (Human) | 0.00112592 | 45 | |
| Q16539 | Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ... | MAPK14 | 1432; | Homo sapiens (Human) | 0.00110815 | 46 | |
| Q9ULX7 | Carbonic anhydrase 14 (EC 4.2.1.1) (Carbonate dehydratase XIV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA14 | 23632; | Homo sapiens (Human) | 0.00110303 | 47 | |
| P35354 | Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ... | Prostaglandin G/H synthase family | PTGS2 | 5743; | Homo sapiens (Human) | 0.00108394 | 48 | |
| P08172 | Muscarinic acetylcholine receptor M2 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ... | CHRM2 | 1129; | Homo sapiens (Human) | 0.00107648 | 49 | |
| P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 0.00105626 | 50 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 19518 | 2025-11-28 15:46:33 | Target proteins | Substructure-Drug-Target Network-Based Inference (SDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 Download | k = 2, Top 50 | Download |


