Results
| Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 3.5683 | 1 | |
| P04150 | Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | NR3C1 | 2908; | Homo sapiens (Human) | 3.54853 | 2 | |
| Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 3.07123 | 3 | |
| P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 2.62668 | 4 | |
| P41146 | Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor) | G-protein coupled receptor 1 family | OPRL1 | 4987; | Homo sapiens (Human) | 2.55865 | 5 | |
| Q99720 | Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ... | ERG2 family | SIGMAR1 | 10280; | Homo sapiens (Human) | 2.50883 | 6 | |
| P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 2.07611 | 7 | |
| P25103 | Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1) | G-protein coupled receptor 1 family | TACR1 | 6869; | Homo sapiens (Human) | 2.07279 | 8 | |
| P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 2.06806 | 9 | |
| O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 2.02168 | 10 | |
| P45452 | Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13) | Peptidase M10A family | MMP13 | 4322; | Homo sapiens (Human) | 2.0021 | 11 | |
| 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) | 1.9791 | 12 | |
| 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) | 1.94019 | 13 | |
| 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) | 1.84216 | 14 | |
| P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 1.83993 | 15 | |
| 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) | 1.82918 | 16 | |
| P27487 | Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ... | Peptidase S9B family, DPPIV subfamily | DPP4 | 1803; | Homo sapiens (Human) | 1.76876 | 17 | |
| Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.66205 | 18 | |
| P43088 | Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor) | G-protein coupled receptor 1 family | PTGFR | 5737; | Homo sapiens (Human) | 1.63978 | 19 | |
| P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.62394 | 20 | |
| Q16236 | Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ... | BZIP family, CNC subfamily | NFE2L2 | 4780; | Homo sapiens (Human) | 1.59929 | 21 | |
| Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial (DHOdehase) (EC 1.3.5.2) (Dihydroorotate oxidase) | Dihydroorotate dehydrogenase family, Type 2 subfamily | DHODH | 1723; | Homo sapiens (Human) | 1.58051 | 22 | |
| 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) | 1.54343 | 23 | |
| P13945 | Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor) | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamily | ADRB3 | 155; | Homo sapiens (Human) | 1.49687 | 24 | |
| P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 1.45786 | 25 | |
| P04035 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34) | HMG-CoA reductase family | HMGCR | 3156; | Homo sapiens (Human) | 1.42049 | 26 | |
| P07550 | Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor) | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily | ADRB2 | 154; | Homo sapiens (Human) | 1.41279 | 27 | |
| 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) | 1.41005 | 28 | |
| P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.4038 | 29 | |
| 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) | 1.36639 | 30 | |
| O75762 | Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like ... | Transient receptor (TC 1.A.4) family | TRPA1 | 8989; | Homo sapiens (Human) | 1.31622 | 31 | |
| P31639 | Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ... | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A2 | 6524; | Homo sapiens (Human) | 1.30373 | 32 | |
| 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) | 1.29836 | 33 | |
| P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.29394 | 34 | |
| P35408 | Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ... | G-protein coupled receptor 1 family | PTGER4 | 5734; | Homo sapiens (Human) | 1.29152 | 35 | |
| P25090 | N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ... | G-protein coupled receptor 1 family | FPR2 | 2358; | Homo sapiens (Human) | 1.28406 | 36 | |
| O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.2794 | 37 | |
| P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 1.26554 | 38 | |
| P41597 | C-C chemokine receptor type 2 (C-C CKR-2) (CC-CKR-2) (CCR-2) (CCR2) ... | G-protein coupled receptor 1 family | CCR2 | 729230; | Homo sapiens (Human) | 1.25909 | 39 | |
| Q14416 | Metabotropic glutamate receptor 2 (mGluR2) | G-protein coupled receptor 3 family | GRM2 | 2912; | Homo sapiens (Human) | 1.24202 | 40 | |
| O75388 | Probable G-protein coupled receptor 32 | G-protein coupled receptor 1 family | GPR32 | 2854; | Homo sapiens (Human) | 1.23042 | 41 | |
| 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) | 1.18355 | 42 | |
| Q9UBN7 | Histone deacetylase 6 (HD6) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC6 | 10013; | Homo sapiens (Human) | 1.16698 | 43 | |
| 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) | 1.15053 | 44 | |
| P22894 | Neutrophil collagenase (EC 3.4.24.34) (Matrix metalloproteinase-8) (MMP-8) (PMNL collagenase) (PMNL-CL) | Peptidase M10A family | MMP8 | 4317; | Homo sapiens (Human) | 1.10514 | 45 | |
| Q9Y5Y4 | Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ... | G-protein coupled receptor 1 family | PTGDR2 | 11251; | Homo sapiens (Human) | 1.10468 | 46 | |
| Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.10458 | 47 | |
| 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) | 1.10339 | 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) | 1.09245 | 49 | |
| 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) | 1.08687 | 50 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 19074 | 2025-11-17 14:44:10 | 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 |


