Results
| Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 3.45081 | 1 |
| Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 3.01318 | 2 | |
| P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 2.75284 | 3 | |
| P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 2.42086 | 4 | |
| P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 2.30836 | 5 | |
| P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 2.23091 | 6 | |
| P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 2.12499 | 7 | |
| 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) | 2.08799 | 8 | |
| O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 2.02168 | 9 | |
| 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) | 2.02132 | 10 | |
| P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 2.01151 | 11 | |
| P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 1.96989 | 12 | ||
| Q8NER1 | Transient receptor potential cation channel subfamily V member 1 (TrpV1) ... | Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily | TRPV1 | 7442; | Homo sapiens (Human) | 1.87764 | 13 | |
| P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | BCHE | 590; | Homo sapiens (Human) | 1.82558 | 14 | |
| P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.78733 | 15 | |
| 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) | 1.76583 | 16 | |
| Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 1.73105 | 17 | |
| P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.7059 | 18 | |
| O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.64671 | 19 | |
| 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) | 1.59876 | 20 | |
| 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) | 1.58783 | 21 | |
| Q9UBY5 | Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR3 | 23566; | Homo sapiens (Human) | 1.48666 | 22 | |
| 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) | 1.474 | 23 | |
| P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 1.45136 | 24 | |
| 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) | 1.42511 | 25 | |
| P43235 | Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X) | Peptidase C1 family | CTSK | 1513; | Homo sapiens (Human) | 1.42489 | 26 | |
| Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.41221 | 27 | |
| 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) | 1.37833 | 28 | |
| P08246 | Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ... | Peptidase S1 family, Elastase subfamily | ELANE | 1991; | Homo sapiens (Human) | 1.32886 | 29 | |
| P29475 | Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ... | NOS family | NOS1 | 4842; | Homo sapiens (Human) | 1.3096 | 30 | |
| P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 1.29506 | 31 | |
| P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA1 | 759; | Homo sapiens (Human) | 1.29496 | 32 | |
| P45452 | Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13) | Peptidase M10A family | MMP13 | 4322; | Homo sapiens (Human) | 1.28582 | 33 | |
| P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.28401 | 34 | |
| P08172 | Muscarinic acetylcholine receptor M2 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ... | CHRM2 | 1129; | Homo sapiens (Human) | 1.23694 | 35 | |
| P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 1.22869 | 36 | |
| P35408 | Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER4 | 5734; | Homo sapiens (Human) | 1.17816 | 37 | |
| 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) | 1.14889 | 38 | |
| P52732 | Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ... | TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily | KIF11 | 3832; | Homo sapiens (Human) | 1.12986 | 39 | |
| 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) | 1.12769 | 40 | |
| P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 1.12196 | 41 | |
| Q99500 | Sphingosine 1-phosphate receptor 3 (S1P receptor 3) (S1P3) (Endothelial differentiation ... | G-protein coupled receptor 1 family | S1PR3 | 1903; | Homo sapiens (Human) | 1.11583 | 42 | |
| P21397 | Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ... | Flavin monoamine oxidase family | MAOA | 4128; | Homo sapiens (Human) | 1.10594 | 43 | |
| P41146 | Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor) | G-protein coupled receptor 1 family | OPRL1 | 4987; | Homo sapiens (Human) | 1.09494 | 44 | |
| P35228 | Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ... | NOS family | NOS2 | 4843; | Homo sapiens (Human) | 1.09395 | 45 | |
| P21728 | D(1A) dopamine receptor (Dopamine D1 receptor) | G-protein coupled receptor 1 family | DRD1 | 1812; | Homo sapiens (Human) | 1.07051 | 46 | |
| P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.06667 | 47 | |
| 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) | 1.05975 | 48 | |
| Q99705 | Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ... | G-protein coupled receptor 1 family | MCHR1 | 2847; | Homo sapiens (Human) | 1.04163 | 49 | |
| Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.02432 | 50 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 24847 | 2026-09-02 18:50:47 | 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 |


