Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 2.54439 | 1 |
P07900 | Heat shock protein HSP 90-alpha (Heat shock 86 kDa) (HSP ... | Heat shock protein 90 family | HSP90AA1 | 3320; | Homo sapiens (Human) | 2.1647 | 2 | |
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) | 2.05505 | 3 | |
P41595 | 5-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B) | G-protein coupled receptor 1 family | HTR2B | 3357; | Homo sapiens (Human) | 1.81233 | 4 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 1.81196 | 5 | |
P11229 | Muscarinic acetylcholine receptor M1 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ... | CHRM1 | 1128; | Homo sapiens (Human) | 1.79986 | 6 | |
Q96Q15 | Serine/threonine-protein kinase SMG1 (SMG-1) (hSMG-1) (EC 2.7.11.1) (61E3.4) (Lambda/iota protein ... | PI3/PI4-kinase family | SMG1 | 23049; | Homo sapiens (Human) | 1.72327 | 7 | |
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) | 1.70608 | 8 | |
Q16678 | Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) | Cytochrome P450 family | CYP1B1 | 1545; | Homo sapiens (Human) | 1.63687 | 9 | |
P08173 | Muscarinic acetylcholine receptor M4 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ... | CHRM4 | 1132; | Homo sapiens (Human) | 1.62152 | 10 | |
Q99720 | Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ... | ERG2 family | SIGMAR1 | 10280; | Homo sapiens (Human) | 1.61609 | 11 | |
P28222 | 5-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ... | G-protein coupled receptor 1 family | HTR1B | 3351; | Homo sapiens (Human) | 1.59476 | 12 | |
Q9Y271 | Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ... | G-protein coupled receptor 1 family | CYSLTR1 | 10800; | Homo sapiens (Human) | 1.54539 | 13 | |
P08172 | Muscarinic acetylcholine receptor M2 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ... | CHRM2 | 1129; | Homo sapiens (Human) | 1.54367 | 14 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.52253 | 15 | |
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) | 1.51256 | 16 | |
P25100 | Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ... | G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamily | ADRA1D | 146; | Homo sapiens (Human) | 1.47601 | 17 | |
O60755 | Galanin receptor type 3 (GAL3-R) (GALR-3) | G-protein coupled receptor 1 family | GALR3 | 8484; | Homo sapiens (Human) | 1.45782 | 18 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.45015 | 19 | |
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) | 1.44651 | Known | |
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) | 1.43688 | 20 | |
P49662 | Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ... | Peptidase C14A family | CASP4 | 837; | Homo sapiens (Human) | 1.37841 | 21 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 1.3664 | 22 | |
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) | 1.36256 | 23 | |
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) | 1.29345 | 24 | |
P51449 | Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ... | Nuclear hormone receptor family, NR1 subfamily | RORC | 6097; | Homo sapiens (Human) | 1.27627 | 25 | |
P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 1.25731 | 26 | |
Q00987 | E3 ubiquitin-protein ligase Mdm2 (EC 2.3.2.27) (Double minute 2 protein) ... | MDM2/MDM4 family | MDM2 | 4193; | Homo sapiens (Human) | 1.25695 | 27 | |
P42224 | Signal transducer and activator of transcription 1-alpha/beta (Transcription factor ISGF-3 ... | Transcription factor STAT family | STAT1 | 6772; | Homo sapiens (Human) | 1.2556 | 28 | |
Q8TD43 | Transient receptor potential cation channel subfamily M member 4 (hTRPM4) ... | Transient receptor (TC 1.A.4) family, LTrpC subfamily, TRPM4 sub-subfamily | TRPM4 | 54795; | Homo sapiens (Human) | 1.24992 | 29 | |
P51878 | Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ... | Peptidase C14A family | CASP5 | 838; | Homo sapiens (Human) | 1.24981 | 30 | |
P25103 | Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1) | G-protein coupled receptor 1 family | TACR1 | 6869; | Homo sapiens (Human) | 1.24921 | 31 | |
Q14833 | Metabotropic glutamate receptor 4 (mGluR4) | G-protein coupled receptor 3 family | GRM4 | 2914; | Homo sapiens (Human) | 1.20879 | 32 | |
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) | 1.17473 | 33 | |
P40225 | Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ... | EPO/TPO family | THPO | 7066; | Homo sapiens (Human) | 1.15 | 34 | |
P28221 | 5-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ... | G-protein coupled receptor 1 family | HTR1D | 3352; | Homo sapiens (Human) | 1.11266 | 35 | |
P20309 | Muscarinic acetylcholine receptor M3 | G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ... | CHRM3 | 1131; | Homo sapiens (Human) | 1.1119 | 36 | |
P09619 | Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ... | Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamily | PDGFRB | 5159; | Homo sapiens (Human) | 1.11076 | 37 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.07972 | 38 | |
P35414 | Apelin receptor (Angiotensin receptor-like 1) (G-protein coupled receptor APJ) (G-protein ... | G-protein coupled receptor 1 family | APLNR | 187; | Homo sapiens (Human) | 1.07368 | 39 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.0698 | 40 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.05733 | 41 | |
P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | AR | 367; | Homo sapiens (Human) | 1.05516 | 42 | |
P16083 | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) (NRH dehydrogenase [quinone] 2) (NRH:quinone ... | NAD(P)H dehydrogenase (quinone) family | NQO2 | 4835; | Homo sapiens (Human) | 1.05211 | 43 | |
P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 1.04017 | 44 | |
P32246 | C-C chemokine receptor type 1 (C-C CKR-1) (CC-CKR-1) (CCR-1) (CCR1) ... | G-protein coupled receptor 1 family | CCR1 | 1230; | Homo sapiens (Human) | 1.02147 | 45 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.01977 | 46 | |
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) | 1.00066 | 47 | |
Q15759 | Mitogen-activated protein kinase 11 (MAP kinase 11) (MAPK 11) (EC ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ... | MAPK11 | 5600; | Homo sapiens (Human) | 0.990649 | 48 | |
P23219 | Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ... | Prostaglandin G/H synthase family | PTGS1 | 5742; | Homo sapiens (Human) | 0.977088 | 49 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 0.969074 | 50 | |
Q96QE3 | ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ... | AAA ATPase family | ATAD5 | 79915; | Homo sapiens (Human) | 0.814674 | Known | |
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) | 0.716297 | Known | |
P42858 | Huntingtin (Huntington disease protein) (HD protein) | Huntingtin family | HTT | 3064; | Homo sapiens (Human) | 0.700011 | Known | |
P51151 | Ras-related protein Rab-9A | Small GTPase superfamily, Rab family | RAB9A | 9367; | Homo sapiens (Human) | 0.662506 | Known | |
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) | 0.532881 | Known | |
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) | 0.377141 | Known | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.310617 | Known |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
5378 | 2023-03-23 19:38:10 | Target proteins | Weighted Substructure-Drug-Target Network-Based Inference (wSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Morgan fingerprint, similar to FCFP_4 | α = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50 | Download |