Results
Compound | Target ID | Protein name | Protein family | Gene symbol | Gene ID | Organism | Score | Rank |
---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | CNR2 | 1269; | Homo sapiens (Human) | 0.000615044 | 1 |
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) | 0.000573662 | 2 | |
Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC1 | 3065; | Homo sapiens (Human) | 0.000566615 | 3 | |
P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | CNR1 | 1268; | Homo sapiens (Human) | 0.000528314 | 4 | |
O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ... | Amidase family | FAAH | 2166; | Homo sapiens (Human) | 0.000523623 | 5 | |
Q9UBY5 | Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR3 | 23566; | Homo sapiens (Human) | 0.000476494 | 6 | |
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) | 0.00046232 | 7 | |
Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | HRH3 | 11255; | Homo sapiens (Human) | 0.000431865 | 8 | |
P61073 | C-X-C chemokine receptor type 4 (CXC-R4) (CXCR-4) (FB22) (Fusin) (HM89) ... | G-protein coupled receptor 1 family | CXCR4 | 7852; | Homo sapiens (Human) | 0.000408443 | 9 | |
Q9Y4D2 | Sn1-specific diacylglycerol lipase alpha (DGL-alpha) (EC 3.1.1.-) (Neural stem cell-derived ... | AB hydrolase superfamily, Lipase family | DAGLA | 747; | Homo sapiens (Human) | 0.000394836 | 10 | |
P09960 | Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) | Peptidase M1 family | LTA4H | 4048; | Homo sapiens (Human) | 0.000394277 | 11 | |
P41143 | Delta-type opioid receptor (D-OR-1) (DOR-1) | G-protein coupled receptor 1 family | OPRD1 | 4985; | Homo sapiens (Human) | 0.00038425 | 12 | |
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) | 0.000382205 | 13 | |
Q9UBN7 | Histone deacetylase 6 (HD6) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC6 | 10013; | Homo sapiens (Human) | 0.000357243 | 14 | |
P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | CES1 | 1066; | Homo sapiens (Human) | 0.000357001 | 15 | |
P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | EPHX2 | 2053; | Homo sapiens (Human) | 0.000346708 | 16 | |
Q9BY41 | Histone deacetylase 8 (HD8) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC8 | 55869; | Homo sapiens (Human) | 0.000332763 | 17 | |
Q9H3N8 | Histamine H4 receptor (H4R) (HH4R) (AXOR35) (G-protein coupled receptor 105) ... | G-protein coupled receptor 1 family | HRH4 | 59340; | Homo sapiens (Human) | 0.000329901 | 18 | |
P27487 | Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ... | Peptidase S9B family, DPPIV subfamily | DPP4 | 1803; | Homo sapiens (Human) | 0.000327866 | 19 | |
P41145 | Kappa-type opioid receptor (K-OR-1) (KOR-1) | G-protein coupled receptor 1 family | OPRK1 | 4986; | Homo sapiens (Human) | 0.000323544 | 20 | |
P29275 | Adenosine receptor A2b | G-protein coupled receptor 1 family | ADORA2B | 136; | Homo sapiens (Human) | 0.000323039 | 21 | |
O15379 | Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45) | Histone deacetylase family, HD type 1 subfamily | HDAC3 | 8841; | Homo sapiens (Human) | 0.000321672 | 22 | |
Q92769 | Histone deacetylase 2 (HD2) (EC 3.5.1.98) | Histone deacetylase family, HD type 1 subfamily | HDAC2 | 3066; | Homo sapiens (Human) | 0.000321325 | 23 | |
P00734 | Prothrombin (EC 3.4.21.5) (Coagulation factor II) [Cleaved into: Activation peptide ... | Peptidase S1 family | F2 | 2147; | Homo sapiens (Human) | 0.000312554 | 24 | |
P35228 | Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ... | NOS family | NOS2 | 4843; | Homo sapiens (Human) | 0.000310802 | 25 | |
O95749 | Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ... | FPP/GGPP synthase family | GGPS1 | 9453; | Homo sapiens (Human) | 0.000306697 | 26 | |
P25774 | Cathepsin S (EC 3.4.22.27) | Peptidase C1 family | CTSS | 1520; | Homo sapiens (Human) | 0.000305632 | 27 | |
P35367 | Histamine H1 receptor (H1R) (HH1R) | G-protein coupled receptor 1 family | HRH1 | 3269; | Homo sapiens (Human) | 0.000304023 | 28 | |
Q9HBW0 | Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR2 | 9170; | Homo sapiens (Human) | 0.000302874 | 29 | |
P43235 | Cathepsin K (EC 3.4.22.38) (Cathepsin O) (Cathepsin O2) (Cathepsin X) | Peptidase C1 family | CTSK | 1513; | Homo sapiens (Human) | 0.000294433 | 30 | |
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) | 0.000282183 | 31 | |
P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | ADORA1 | 134; | Homo sapiens (Human) | 0.000281727 | 32 | |
P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | ADORA2A | 135; | Homo sapiens (Human) | 0.000279519 | 33 | |
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) | 0.000277738 | 34 | |
Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | TDP1 | 55775; | Homo sapiens (Human) | 0.000274073 | 35 | |
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) | 0.00026552 | 36 | |
Q92633 | Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ... | G-protein coupled receptor 1 family | LPAR1 | 1902; | Homo sapiens (Human) | 0.000263875 | 37 | |
P29475 | Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ... | NOS family | NOS1 | 4842; | Homo sapiens (Human) | 0.000261394 | 38 | |
P0DMS8 | Adenosine receptor A3 | G-protein coupled receptor 1 family | ADORA3 | 140; | Homo sapiens (Human) | 0.00025934 | 39 | |
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) | 0.000255026 | 40 | |
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) | 0.000251609 | 41 | |
P09874 | Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ... | PARP1 | 142; | Homo sapiens (Human) | 0.000250458 | 42 | ||
P56524 | Histone deacetylase 4 (HD4) (EC 3.5.1.98) | Histone deacetylase family, HD type 2 subfamily | HDAC4 | 9759; | Homo sapiens (Human) | 0.000245322 | 43 | |
P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | DRD2 | 1813; | Homo sapiens (Human) | 0.000239251 | 44 | |
P03956 | Interstitial collagenase (EC 3.4.24.7) (Fibroblast collagenase) (Matrix metalloproteinase-1) (MMP-1) [Cleaved ... | Peptidase M10A family | MMP1 | 4312; | Homo sapiens (Human) | 0.000236821 | 45 | |
P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | ACHE | 43; | Homo sapiens (Human) | 0.000236107 | 46 | |
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) | 0.00023299 | 47 | |
P08253 | 72 kDa type IV collagenase (EC 3.4.24.24) (72 kDa gelatinase) ... | Peptidase M10A family | MMP2 | 4313; | Homo sapiens (Human) | 0.000228436 | 48 | |
P07858 | Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ... | Peptidase C1 family | CTSB | 1508; | Homo sapiens (Human) | 0.000228405 | 49 | |
P12821 | Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ... | Peptidase M2 family | ACE | 1636; | Homo sapiens (Human) | 0.00022676 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1671 | 2021-07-25 10:58:20 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network (version 2020) | Klekota-Roth (KR) | α = 0.4, β = 0.3, γ = -0.6, k = 2, Top 50 |