Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P00156 | Cytochrome b (Complex III subunit 3) (Complex III subunit III) ... | Cytochrome b family | MT-CYB | 4519; | Homo sapiens (Human) | 3.72584 | 1 |
P29466 | Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ... | Peptidase C14A family | CASP1 | 834; | Homo sapiens (Human) | 3.0646 | 2 | |
P53985 | Monocarboxylate transporter 1 (MCT 1) (Solute carrier family 16 member ... | Major facilitator superfamily, Monocarboxylate porter (TC 2.A.1.13) family | SLC16A1 | 6566; | Homo sapiens (Human) | 3.05979 | 3 | |
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) | 3.04901 | 4 | |
P21980 | Protein-glutamine gamma-glutamyltransferase 2 (EC 2.3.2.13) (Tissue transglutaminase) (Transglutaminase C) (TG(C)) ... | Transglutaminase superfamily, Transglutaminase family | TGM2 | 7052; | Homo sapiens (Human) | 2.79955 | 5 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 2.71788 | 6 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 1.89073 | 7 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.84086 | 8 | |
P06401 | Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | PGR | 5241; | Homo sapiens (Human) | 1.6737 | 9 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.6354 | 10 | |
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) | 1.63447 | 11 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 1.58911 | 12 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 1.56622 | 13 | |
Q13639 | 5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4) | G-protein coupled receptor 1 family | HTR4 | 3360; | Homo sapiens (Human) | 1.53842 | 14 | |
P42574 | Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ... | Peptidase C14A family | CASP3 | 836; | Homo sapiens (Human) | 1.48035 | 15 | |
P00748 | Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ... | Peptidase S1 family | F12 | 2161; | Homo sapiens (Human) | 1.47006 | 16 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.46176 | 17 | |
P15121 | Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ... | Aldo/keto reductase family | AKR1B1 | 231; | Homo sapiens (Human) | 1.43973 | 18 | |
P21397 | Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ... | Flavin monoamine oxidase family | MAOA | 4128; | Homo sapiens (Human) | 1.4188 | 19 | |
P04150 | Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ... | Nuclear hormone receptor family, NR3 subfamily | NR3C1 | 2908; | Homo sapiens (Human) | 1.38806 | 20 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 1.32124 | 21 | |
P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | GRM5 | 2915; | Homo sapiens (Human) | 1.31253 | 22 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.29161 | 23 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.2835 | 24 | |
P21917 | D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor) | G-protein coupled receptor 1 family | DRD4 | 1815; | Homo sapiens (Human) | 1.26947 | 25 | |
P04278 | Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ... | SHBG | 6462; | Homo sapiens (Human) | 1.26419 | 26 | ||
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.23328 | 27 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.20293 | 28 | |
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 1.1228 | 29 | |
P25103 | Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1) | G-protein coupled receptor 1 family | TACR1 | 6869; | Homo sapiens (Human) | 1.1154 | 30 | |
P08588 | Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor) | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily | ADRB1 | 153; | Homo sapiens (Human) | 1.09451 | 31 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 1.05734 | 32 | |
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) | 1.05417 | 33 | |
P15559 | NAD(P)H dehydrogenase [quinone] 1 (EC 1.6.5.2) (Azoreductase) (DT-diaphorase) (DTD) (Menadione ... | NAD(P)H dehydrogenase (quinone) family | NQO1 | 1728; | Homo sapiens (Human) | 1.0372 | 34 | |
Q9UDY8 | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) (MALT ... | Peptidase C14B family | MALT1 | 10892; | Homo sapiens (Human) | 1.03553 | 35 | |
Q99720 | Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ... | ERG2 family | SIGMAR1 | 10280; | Homo sapiens (Human) | 1.03357 | 36 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 1.02861 | 37 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.02775 | 38 | |
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) | 1.00891 | 39 | |
P31391 | Somatostatin receptor type 4 (SS-4-R) (SS4-R) (SS4R) | G-protein coupled receptor 1 family | SSTR4 | 6754; | Homo sapiens (Human) | 1.00549 | 40 | |
P55210 | Caspase-7 (CASP-7) (EC 3.4.22.60) (Apoptotic protease Mch-3) (CMH-1) (ICE-like apoptotic ... | Peptidase C14A family | CASP7 | 840; | Homo sapiens (Human) | 0.980992 | 41 | |
P50406 | 5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6) | G-protein coupled receptor 1 family | HTR6 | 3362; | Homo sapiens (Human) | 0.979422 | 42 | |
P47898 | 5-hydroxytryptamine receptor 5A (5-HT-5) (5-HT-5A) (5-HT5A) (Serotonin receptor 5A) | G-protein coupled receptor 1 family | HTR5A | 3361; | Homo sapiens (Human) | 0.971886 | 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) | 0.968289 | 44 | |
O95551 | Tyrosyl-DNA phosphodiesterase 2 (Tyr-DNA phosphodiesterase 2) (hTDP2) (EC 3.1.4.-) (5'-tyrosyl-DNA ... | CCR4/nocturin family | TDP2 | 51567; | Homo sapiens (Human) | 0.946105 | 45 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 0.935741 | 46 | |
Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA9 | 768; | Homo sapiens (Human) | 0.933944 | 47 | |
P11229 | Muscarinic acetylcholine receptor M1 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ... | CHRM1 | 1128; | Homo sapiens (Human) | 0.924646 | 48 | |
P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 0.924638 | 49 | |
P48067 | Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamily | SLC6A9 | 6536; | Homo sapiens (Human) | 0.913079 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
5373 | 2023-03-22 10:10:37 | Target proteins | Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 | α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50 | Download |