Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P27169 | Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ... | Paraoxonase family | PON1 | 5444; | Homo sapiens (Human) | 3.57897 | 1 |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 3.07185 | 2 | |
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) | 3.0264 | 3 | |
Q9NY91 | Solute carrier family 5 member 4 | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A4 | 6527; | Homo sapiens (Human) | 2.89233 | 4 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 2.66478 | 5 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 2.22788 | 6 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 2.03464 | 7 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 1.99697 | 8 | |
Q96GD4 | Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ... | Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily | AURKB | 9212; | Homo sapiens (Human) | 1.85601 | 9 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.85436 | 10 | |
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) | 1.84624 | 11 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 1.73061 | 12 | |
P25105 | Platelet-activating factor receptor (PAF-R) (PAFr) | G-protein coupled receptor 1 family | PTAFR | 5724; | Homo sapiens (Human) | 1.71149 | 13 | |
P04746 | Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase) | Glycosyl hydrolase 13 family | AMY2A | 279; | Homo sapiens (Human) | 1.69986 | 14 | |
Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ... | G-protein coupled receptor 1 family | GPR17 | 2840; | Homo sapiens (Human) | 1.67279 | 15 | |
P11413 | Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49) | Glucose-6-phosphate dehydrogenase family | G6PD | 2539; | Homo sapiens (Human) | 1.55683 | 16 | |
Q15788 | Nuclear receptor coactivator 1 (NCoA-1) (EC 2.3.1.48) (Class E basic ... | SRC/p160 nuclear receptor coactivator family | NCOA1 | 8648; | Homo sapiens (Human) | 1.53646 | 17 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 1.52379 | 18 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 1.48202 | 19 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.46086 | 20 | |
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) | 1.44507 | 21 | |
P32320 | Cytidine deaminase (EC 3.5.4.5) (Cytidine aminohydrolase) | Cytidine and deoxycytidylate deaminase family | CDA | 978; | Homo sapiens (Human) | 1.41628 | 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) | 1.39811 | 23 | |
P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA2 | 760; | Homo sapiens (Human) | 1.37588 | 24 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.37431 | 25 | |
P35462 | D(3) dopamine receptor (Dopamine D3 receptor) | G-protein coupled receptor 1 family | DRD3 | 1814; | Homo sapiens (Human) | 1.36736 | 26 | |
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) | 1.36079 | 27 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 1.35832 | 28 | |
Q99808 | Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ... | SLC29A/ENT transporter (TC 2.A.57) family | SLC29A1 | 2030; | Homo sapiens (Human) | 1.35827 | 29 | |
P22748 | Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA4 | 762; | Homo sapiens (Human) | 1.3453 | 30 | |
Q13639 | 5-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4) | G-protein coupled receptor 1 family | HTR4 | 3360; | Homo sapiens (Human) | 1.34473 | 31 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 1.29719 | 32 | |
Q15391 | P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor) | G-protein coupled receptor 1 family | P2RY14 | 9934; | Homo sapiens (Human) | 1.26178 | 33 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 1.25516 | 34 | |
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 1.23844 | 35 | |
P48039 | Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor) | G-protein coupled receptor 1 family | MTNR1A | 4543; | Homo sapiens (Human) | 1.23404 | 36 | |
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) | 1.21466 | 37 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.17435 | 38 | |
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) | 1.16942 | 39 | |
Q96LB1 | Mas-related G-protein coupled receptor member X2 | G-protein coupled receptor 1 family, Mas subfamily | MRGPRX2 | 117194; | Homo sapiens (Human) | 1.12669 | 40 | |
P60842 | Eukaryotic initiation factor 4A-I (eIF-4A-I) (eIF4A-I) (EC 3.6.4.13) (ATP-dependent RNA ... | DEAD box helicase family, eIF4A subfamily | EIF4A1 | 1973; | Homo sapiens (Human) | 1.0703 | 41 | |
P21728 | D(1A) dopamine receptor (Dopamine D1 receptor) | G-protein coupled receptor 1 family | DRD1 | 1812; | Homo sapiens (Human) | 1.04903 | 42 | |
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) | 1.02927 | 43 | |
O60502 | Protein O-GlcNAcase (OGA) (EC 3.2.1.169) (Beta-N-acetylglucosaminidase) (Beta-N-acetylhexosaminidase) (Beta-hexosaminidase) (Meningioma-expressed antigen ... | Glycosyl hydrolase 84 family | OGA | 10724; | Homo sapiens (Human) | 1.00262 | 44 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.996872 | 45 | |
Q99720 | Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ... | ERG2 family | SIGMAR1 | 10280; | Homo sapiens (Human) | 0.994868 | 46 | |
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) | 0.98923 | 47 | |
Q16706 | Alpha-mannosidase 2 (EC 3.2.1.114) (Golgi alpha-mannosidase II) (AMan II) (Man ... | Glycosyl hydrolase 38 family | MAN2A1 | 4124; | Homo sapiens (Human) | 0.976053 | 48 | |
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) | 0.975001 | 49 | |
P29371 | Neuromedin-K receptor (NKR) (NK-3 receptor) (NK-3R) (Neurokinin B receptor) (Tachykinin ... | G-protein coupled receptor 1 family | TACR3 | 6870; | Homo sapiens (Human) | 0.954055 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10260 | 2024-04-25 14:57:19 | 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 |