Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | 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) | 3.58095 | 1 |
Q9NY91 | Solute carrier family 5 member 4 | Sodium:solute symporter (SSF) (TC 2.A.21) family | SLC5A4 | 6527; | Homo sapiens (Human) | 2.89233 | 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) | 2.7634 | 3 | |
Q16678 | Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) | Cytochrome P450 family | CYP1B1 | 1545; | Homo sapiens (Human) | 2.66769 | 4 | |
P00533 | Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ... | Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamily | EGFR | 1956; | Homo sapiens (Human) | 2.65838 | 5 | |
P43166 | Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA7 | 766; | Homo sapiens (Human) | 2.40556 | 6 | |
O43570 | Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | CA12 | 771; | Homo sapiens (Human) | 2.32491 | 7 | |
Q92731 | Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ... | Nuclear hormone receptor family, NR3 subfamily | ESR2 | 2100; | Homo sapiens (Human) | 2.26447 | 8 | |
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) | 2.20458 | 9 | |
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) | 2.20153 | 10 | |
P05067 | Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ... | APP family | APP | 351; | Homo sapiens (Human) | 2.08747 | 11 | |
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) | 2.07307 | 12 | |
P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | CYP19A1 | 1588; | Homo sapiens (Human) | 2.04143 | 13 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 1.93639 | 14 | |
P04798 | Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ... | Cytochrome P450 family | CYP1A1 | 1543; | Homo sapiens (Human) | 1.91619 | 15 | |
P53779 | Mitogen-activated protein kinase 10 (MAP kinase 10) (MAPK 10) (EC ... | Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ... | MAPK10 | 5602; | Homo sapiens (Human) | 1.71797 | 16 | |
P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ... | Cytochrome P450 family | CYP11B2 | 1585; | Homo sapiens (Human) | 1.68147 | 17 | |
P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 1.68115 | 18 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 1.64785 | 19 | |
Q9NY33 | Dipeptidyl peptidase 3 (EC 3.4.14.4) (Dipeptidyl aminopeptidase III) (Dipeptidyl arylamidase ... | Peptidase M49 family | DPP3 | 10072; | Homo sapiens (Human) | 1.59293 | 20 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 1.49416 | 21 | |
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) | 1.42906 | 22 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 1.42557 | 23 | |
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) | 1.42365 | 24 | |
P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | ESR1 | 2099; | Homo sapiens (Human) | 1.42008 | 25 | |
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) | 1.40393 | 26 | |
P17252 | Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13) | Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily | PRKCA | 5578; | Homo sapiens (Human) | 1.35881 | 27 | |
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) | 1.28283 | 28 | |
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 | 29 | |
P06239 | Tyrosine-protein kinase Lck (EC 2.7.10.2) (Leukocyte C-terminal Src kinase) (LSK) ... | Protein kinase superfamily, Tyr protein kinase family, SRC subfamily | LCK | 3932; | Homo sapiens (Human) | 1.23508 | 30 | |
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) | 1.20134 | 31 | |
P05091 | Aldehyde dehydrogenase, mitochondrial (EC 1.2.1.3) (ALDH class 2) (ALDH-E2) (ALDHI) | Aldehyde dehydrogenase family | ALDH2 | 217; | Homo sapiens (Human) | 1.19734 | 32 | |
O43193 | Motilin receptor (G-protein coupled receptor 38) | G-protein coupled receptor 1 family | MLNR | 2862; | Homo sapiens (Human) | 1.19634 | 33 | |
P11413 | Glucose-6-phosphate 1-dehydrogenase (G6PD) (EC 1.1.1.49) | Glucose-6-phosphate dehydrogenase family | G6PD | 2539; | Homo sapiens (Human) | 1.18517 | 34 | |
P55263 | Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase) | Carbohydrate kinase PfkB family | ADK | 132; | Homo sapiens (Human) | 1.17866 | 35 | |
O76074 | cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE) | Cyclic nucleotide phosphodiesterase family | PDE5A | 8654; | Homo sapiens (Human) | 1.17326 | 36 | |
P49286 | Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor) | G-protein coupled receptor 1 family | MTNR1B | 4544; | Homo sapiens (Human) | 1.17077 | 37 | |
P41231 | P2Y purinoceptor 2 (P2Y2) (ATP receptor) (P2U purinoceptor 1) (P2U1) ... | G-protein coupled receptor 1 family | P2RY2 | 5029; | Homo sapiens (Human) | 1.16836 | 38 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 1.16808 | 39 | |
P12872 | Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)] | Motilin family | MLN | 4295; | Homo sapiens (Human) | 1.14961 | 40 | |
P51582 | P2Y purinoceptor 4 (P2Y4) (P2P) (Uridine nucleotide receptor) (UNR) | G-protein coupled receptor 1 family | P2RY4 | 5030; | Homo sapiens (Human) | 1.11687 | 41 | |
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) | 1.10485 | 42 | |
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) | 1.08506 | 43 | |
P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | CYP11B1 | 1584; | Homo sapiens (Human) | 1.06429 | 44 | |
P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ... | Flavin monoamine oxidase family | MAOB | 4129; | Homo sapiens (Human) | 1.04224 | 45 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 1.01642 | 46 | |
O95271 | Poly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like 5) ... | TNKS | 8658; | Homo sapiens (Human) | 0.952081 | 47 | ||
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 0.942036 | 48 | |
Q9ULY5 | C-type lectin domain family 4 member E (C-type lectin superfamily ... | CLEC4E | 26253; | Homo sapiens (Human) | 0.933053 | 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) | 0.925421 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
10259 | 2024-04-25 14:56:57 | 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 |