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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C14C(C)(CC(O)CC1(C)COC2C(O)C(O)C(O)C(CO)O2)C3/C(=C\C(C(CO)O)(C)CC3)CC4

Prepared SMILES:
OCC1OC(OCC2(C)CC(O)CC3(C2CCC2=CC(CCC32)(C)C(CO)O)C)C(C(C1O)O)O

P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)4.20511
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)3.990632
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A46527;Homo sapiens (Human)3.510333
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)3.405374
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)3.398235
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)3.112646
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)3.037277
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)3.010998
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A26524;Homo sapiens (Human)2.81199
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.6334810
P04746Pancreatic alpha-amylase (PA) (EC 3.2.1.1) (1,4-alpha-D-glucan glucanohydrolase)Glycosyl hydrolase 13 familyAMY2A279;Homo sapiens (Human)2.3922211
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)2.3774512
P17252Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCA5578;Homo sapiens (Human)2.3253913
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)2.2212314
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)2.1958515
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)2.1816216
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.131317
P23526Adenosylhomocysteinase (AdoHcyase) (EC 3.3.1.1) (S-adenosyl-L-homocysteine hydrolase)Adenosylhomocysteinase familyAHCY191;Homo sapiens (Human)2.0866718
Q14573Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...InsP3 receptor familyITPR33710;Homo sapiens (Human)2.0178619
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.9540120
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)1.9322121
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)1.8430122
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)1.7610623
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)1.7049924
P27169Serum paraoxonase/arylesterase 1 (PON 1) (EC 3.1.1.2) (EC 3.1.1.81) (EC ...Paraoxonase familyPON15444;Homo sapiens (Human)1.6949325
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.6933826
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)1.6916427
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)1.6913328
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)1.6317329
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)1.6093230
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)1.5840231
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)1.5011932
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.5000533
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.479334
Q96LB1Mas-related G-protein coupled receptor member X2G-protein coupled receptor 1 family, Mas subfamilyMRGPRX2117194;Homo sapiens (Human)1.4608935
P18031Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyPTPN15770;Homo sapiens (Human)1.3963836
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.3905237
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.382238
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.3787239
P07437Tubulin beta chain (Tubulin beta-5 chain)Tubulin familyTUBB203068;Homo sapiens (Human)1.3643940
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familySLC5A16523;Homo sapiens (Human)1.3518141
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.3118942
P47900P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)G-protein coupled receptor 1 familyP2RY15028;Homo sapiens (Human)1.308943
P00813Adenosine deaminase (EC 3.5.4.4) (Adenosine aminohydrolase)Metallo-dependent hydrolases superfamily, Adenosine and AMP deaminases familyADA100;Homo sapiens (Human)1.2911644
Q15391P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)G-protein coupled receptor 1 familyP2RY149934;Homo sapiens (Human)1.2617845
P56817Beta-secretase 1 (EC 3.4.23.46) (Aspartyl protease 2) (ASP2) (Asp 2) ...Peptidase A1 familyBACE123621;Homo sapiens (Human)1.2524546
P55263Adenosine kinase (AK) (EC 2.7.1.20) (Adenosine 5'-phosphotransferase)Carbohydrate kinase PfkB familyADK132;Homo sapiens (Human)1.2234647
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.2223348
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.2081649
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.2059450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
50872022-12-07
18:15:47		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Klekota-Roth (KR)α = 0.1, β = 0.1, γ = -0.5, k = 2, Top 50Download

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