Results
| Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P25101 | Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR) | G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamily | EDNRA | 1909; | Homo sapiens (Human) | 3.56147 | 1 |
| Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 3.22084 | 2 | |
| Q99527 | G-protein coupled estrogen receptor 1 (Chemoattractant receptor-like 2) (Flow-induced endothelial ... | G-protein coupled receptor 1 family | GPER1 | 2852; | Homo sapiens (Human) | 2.36493 | 3 | |
| P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 2.23369 | 4 | |
| P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 2.22158 | 5 | |
| P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.96119 | 6 | |
| P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.87945 | 7 | |
| O00481 | Butyrophilin subfamily 3 member A1 (CD antigen CD277) | Immunoglobulin superfamily, BTN/MOG family | BTN3A1 | 11119; | Homo sapiens (Human) | 1.77614 | 8 | |
| Q9UBY5 | Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR3 | 23566; | Homo sapiens (Human) | 1.77075 | 9 | |
| P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.70954 | 10 | |
| 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) | 1.70897 | 11 | |
| P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.70245 | 12 | |
| Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.67406 | 13 | |
| O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.64607 | 14 | |
| 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) | 1.59597 | 15 | |
| P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.53242 | 16 | |
| Q8NCG7 | Sn1-specific diacylglycerol lipase beta (DGL-beta) (EC 3.1.1.-) (KCCR13L) | AB hydrolase superfamily, Lipase family | DAGLB | 221955; | Homo sapiens (Human) | 1.51658 | 17 | |
| P24530 | Endothelin receptor type B (ET-B) (ET-BR) (Endothelin receptor non-selective type) | G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRB sub-subfamily | EDNRB | 1910; | Homo sapiens (Human) | 1.47983 | 18 | |
| P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.42719 | 19 | |
| Q9UBN7 | Histone deacetylase 6 (HD6) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC6 | 10013; | Homo sapiens (Human) | 1.42438 | 20 | |
| O00748 | Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ... | Type-B carboxylesterase/lipase family | CES2 | 8824; | Homo sapiens (Human) | 1.41484 | 21 | |
| Q9Y463 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B (EC 2.7.12.1) (Minibrain-related kinase) (Mirk ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MNB/DYRK subfamily | DYRK1B | 9149; | Homo sapiens (Human) | 1.40146 | 22 | |
| P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 1.39969 | 23 | |
| P83916 | Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ... | CBX1 | 10951; | Homo sapiens (Human) | 1.38868 | 24 | ||
| Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A (EC 2.7.12.1) (Dual specificity YAK1-related ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MNB/DYRK subfamily | DYRK1A | 1859; | Homo sapiens (Human) | 1.38369 | 25 | |
| O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.37253 | 26 | |
| P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 1.33328 | 27 | |
| P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.30408 | 28 | |
| 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) | 1.30157 | 29 | |
| Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 1.29115 | 30 | |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 1.28955 | 31 | |
| Q13639 | 5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4) | G-protein coupled receptor 1 family | HTR4 | 3360; | Homo sapiens (Human) | 1.28398 | 32 | |
| P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 1.28039 | 33 | |
| P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 1.26774 | 34 | |
| P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 1.24893 | 35 | |
| P00742 | Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ... | Peptidase S1 family | F10 | 2159; | Homo sapiens (Human) | 1.23284 | 36 | |
| P28845 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ... | Short-chain dehydrogenases/reductases (SDR) family | HSD11B1 | 3290; | Homo sapiens (Human) | 1.23157 | 37 | |
| P56524 | Histone deacetylase 4 (HD4) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC4 | 9759; | Homo sapiens (Human) | 1.22442 | 38 | |
| P21730 | C5a anaphylatoxin chemotactic receptor 1 (C5a anaphylatoxin chemotactic receptor) (C5a-R) ... | G-protein coupled receptor 1 family | C5AR1 | 728; | Homo sapiens (Human) | 1.19582 | 39 | |
| Q9BY41 | Histone deacetylase 8 (HD8) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC8 | 55869; | Homo sapiens (Human) | 1.16946 | 40 | |
| P13497 | Bone morphogenetic protein 1 (BMP-1) (EC 3.4.24.19) (Mammalian tolloid protein) ... | BMP1 | 649; | Homo sapiens (Human) | 1.14382 | 41 | ||
| P25103 | Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1) | G-protein coupled receptor 1 family | TACR1 | 6869; | Homo sapiens (Human) | 1.13815 | 42 | |
| P18089 | Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamily | ADRA2B | 151; | Homo sapiens (Human) | 1.12369 | 43 | |
| P18825 | Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamily | ADRA2C | 152; | Homo sapiens (Human) | 1.11623 | 44 | |
| 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) | 1.11537 | 45 | |
| Q15077 | P2Y purinoceptor 6 (P2Y6) | G-protein coupled receptor 1 family | P2RY6 | 5031; | Homo sapiens (Human) | 1.09498 | 46 | |
| Q15722 | Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ... | G-protein coupled receptor 1 family | LTB4R | 1241; | Homo sapiens (Human) | 1.08771 | 47 | |
| P12821 | Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ... | Peptidase M2 family | ACE | 1636; | Homo sapiens (Human) | 1.07843 | 48 | |
| Q13255 | Metabotropic glutamate receptor 1 (mGluR1) | G-protein coupled receptor 3 family | GRM1 | 2911; | Homo sapiens (Human) | 1.04307 | 49 | |
| P54760 | Ephrin type-B receptor 4 (EC 2.7.10.1) (Hepatoma transmembrane kinase) (Tyrosine-protein ... | Protein kinase superfamily, Tyr protein kinase family, Ephrin receptor subfamily | EPHB4 | 2050; | Homo sapiens (Human) | 1.04288 | 50 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 19653 | 2025-12-05 18:12:08 | Target proteins | Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 Download | α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50 | Download |


