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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C3(/C/2=C/C(C/C=C/1CCCCCCC1)=C\C=C2)C#CCC3

Prepared SMILES:
C1CCCCC(=CCc2cccc(c2)C2C#CCC2)CC1

O14842Free fatty acid receptor 1 (G-protein coupled receptor 40)G-protein coupled receptor 1 familyO148422864Homo sapiens (Human)0.001992991
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00147012
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyP353545743Homo sapiens (Human)0.0006808373
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyO760748654Homo sapiens (Human)0.0006668924
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.0006627095
O60678Protein arginine N-methyltransferase 3 (EC 2.1.1.319) (Heterogeneous nuclear ribonucleoprotein methyltransferase-like ...Class I-like SAM-binding methyltransferase superfamily, Protein arginine N-methyltransferase familyO6067810196Homo sapiens (Human)0.0006511176
O14980Exportin-1 (Exp1) (Chromosome region maintenance 1 protein homolog)Exportin familyO149807514Homo sapiens (Human)0.0006368457
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.0005974698
P09917Polyunsaturated fatty acid 5-lipoxygenase (EC 1.13.11.-) (Arachidonate 5-lipoxygenase) (5-LO) (5-lipoxygenase) ...Lipoxygenase familyP09917240Homo sapiens (Human)0.0005480639
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00054142810
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00047968511
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyP484494047Homo sapiens (Human)0.00046902312
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.0004675313
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00046513914
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00046058215
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.00045193716
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00043154817
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00041202118
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00040712619
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyQ9Y5Y411251Homo sapiens (Human)0.00038192420
P42330Aldo-keto reductase family 1 member C3 (EC 1.1.1.-) (EC 1.1.1.210) ...Aldo/keto reductase familyP423308644Homo sapiens (Human)0.00037146321
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.00036938922
O43193Motilin receptor (G-protein coupled receptor 38)G-protein coupled receptor 1 familyO431932862Homo sapiens (Human)0.00036733723
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyP231411066Homo sapiens (Human)0.00036355324
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00035715525
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.00034092926
P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyP294744846Homo sapiens (Human)0.00033521527
O60760Hematopoietic prostaglandin D synthase (H-PGDS) (EC 5.3.99.2) (GST class-sigma) (Glutathione ...GST superfamily, Sigma familyO6076027306Homo sapiens (Human)0.00033313728
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyQ132585729Homo sapiens (Human)0.00033201929
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00032836430
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.00032151931
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00031957232
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.00031183833
Q9BQF6Sentrin-specific protease 7 (EC 3.4.22.-) (SUMO-1-specific protease 2) (Sentrin/SUMO-specific protease ...Peptidase C48 familyQ9BQF657337Homo sapiens (Human)0.00031136634
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyP430885737Homo sapiens (Human)0.00030850935
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00030836236
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyP352284843Homo sapiens (Human)0.00030602837
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyP431195739Homo sapiens (Human)0.00029771638
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.00029705339
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyP354085734Homo sapiens (Human)0.00026809640
P34995Prostaglandin E2 receptor EP1 subtype (PGE receptor EP1 subtype) (PGE2 ...G-protein coupled receptor 1 familyP349955731Homo sapiens (Human)0.00026084841
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00025667442
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyP431155733Homo sapiens (Human)0.00025292943
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyP431165732Homo sapiens (Human)0.00025046144
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyP2230343Homo sapiens (Human)0.00024949345
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00024839246
P184053-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase ...Steroid 5-alpha reductase familyP184056715Homo sapiens (Human)0.00024597147
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.00024082348
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00024053849
P2884511-beta-hydroxysteroid dehydrogenase 1 (11-DH) (11-beta-HSD1) (EC 1.1.1.146) (7-oxosteroid reductase) (EC ...Short-chain dehydrogenases/reductases (SDR) familyP288453290Homo sapiens (Human)0.0002339350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
185982025-10-21
16:19:14		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

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