Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O

Prepared SMILES:
Oc1ccc2c(c1)OC[C@]1([C@@H]2c2cc(O)c(cc2C1)O)O

P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.001676991
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyO957499453Homo sapiens (Human)0.00141762
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.001103423
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.001085024
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.0007531795
P1406117-beta-hydroxysteroid dehydrogenase type 1 (17-beta-HSD 1) (EC 1.1.1.51) (20 alpha-hydroxysteroid ...Short-chain dehydrogenases/reductases (SDR) familyP140613292Homo sapiens (Human)0.0005792896
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.0005599017
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyP144161813Homo sapiens (Human)0.0005496448
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0005437849
P3705917-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD 2) (20 alpha-hydroxysteroid dehydrogenase) (20-alpha-HSD) ...Short-chain dehydrogenases/reductases (SDR) familyP370593294Homo sapiens (Human)0.00051554310
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00049519811
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00049276912
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyP282233356Homo sapiens (Human)0.00047087413
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00045000914
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00042734515
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyP353724988Homo sapiens (Human)0.00041599916
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)0.00041241117
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyP411434985Homo sapiens (Human)0.00040349718
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyP353673269Homo sapiens (Human)0.00038942619
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00036604320
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyP354621814Homo sapiens (Human)0.00036494821
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyP217281812Homo sapiens (Human)0.00035561622
P10636Microtubule-associated protein tau (Neurofibrillary tangle protein) (Paired helical filament-tau) (PHF-tau)P106364137Homo sapiens (Human)0.00034155723
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyP2230343Homo sapiens (Human)0.00033857324
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00918760Homo sapiens (Human)0.0003215225
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00031824826
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00031460327
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.0003118428
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) ...Peptidase M1 familyP099604048Homo sapiens (Human)0.00031132529
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyP219171815Homo sapiens (Human)0.00030296830
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.0003004331
P33261Cytochrome P450 2C19 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP332611557Homo sapiens (Human)0.00029943832
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00029932433
P11712Cytochrome P450 2C9 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP117121559Homo sapiens (Human)0.00029854734
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyQ9UBT651426Homo sapiens (Human)0.0002984535
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyP07550154Homo sapiens (Human)0.00029307536
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyQ1313310062Homo sapiens (Human)0.00028501637
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00027906738
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00027591939
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyQ128093757Homo sapiens (Human)0.00027571740
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyQ16790768Homo sapiens (Human)0.00027474641
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyP411464987Homo sapiens (Human)0.00027267342
P089085-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-subfamilyP089083350Homo sapiens (Human)0.00026696243
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.00025925644
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid A4 ...APP familyP05067351Homo sapiens (Human)0.00025670945
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)0.00025353246
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyP219181816Homo sapiens (Human)0.00025285847
P14679Tyrosinase (EC 1.14.18.1) (LB24-AB) (Monophenol monooxygenase) (SK29-AB) (Tumor rejection antigen ...Tyrosinase familyP146797299Homo sapiens (Human)0.00025047148
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-estradiol 17-dehydrogenase) (EC 1.1.1.62) (2-methyl-3-hydroxybutyryl-CoA ...Short-chain dehydrogenases/reductases (SDR) familyQ997143028Homo sapiens (Human)0.00024838149
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyP051771544Homo sapiens (Human)0.00024624350
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyP00915759Homo sapiens (Human)0.00024034851
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyO43570771Homo sapiens (Human)0.00023937852
P10635Cytochrome P450 2D6 (EC 1.14.14.-) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyP106351565Homo sapiens (Human)0.00023741853
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00023709754
O94925Glutaminase kidney isoform, mitochondrial (GLS) (EC 3.5.1.2) (K-glutaminase) (L-glutamine amidohydrolase) ...Glutaminase familyO949252744Homo sapiens (Human)0.00023536955
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyP492864544Homo sapiens (Human)0.00023535556
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00023446957
P10415Apoptosis regulator Bcl-2Bcl-2 familyP10415596Homo sapiens (Human)0.00023238158
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Estrone sulfatase) (Steroid sulfatase) ...Sulfatase familyP08842412Homo sapiens (Human)0.00023199859
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyP283353358Homo sapiens (Human)0.0002319460
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyP050931586Homo sapiens (Human)0.00023072661
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyP08588153Homo sapiens (Human)0.00022826962
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyP480394543Homo sapiens (Human)0.0002276663
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00022541864
P14174Macrophage migration inhibitory factor (MIF) (EC 5.3.2.1) (Glycosylation-inhibiting factor) (GIF) ...MIF familyP141744282Homo sapiens (Human)0.00022211565
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyP785275591Homo sapiens (Human)0.0002203366
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00021972767
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.00021753168
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00021384569
B2RXH2Lysine-specific demethylase 4E (EC 1.14.11.66) (KDM4D-like protein) (Lysine-specific demethylase 4D-like) ...JHDM3 histone demethylase familyB2RXH2390245Homo sapiens (Human)0.00021293770
P46063ATP-dependent DNA helicase Q1 (EC 3.6.4.12) (DNA helicase, RecQ-like type ...Helicase family, RecQ subfamilyP460635965Homo sapiens (Human)0.00021251771
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyQ157221241Homo sapiens (Human)0.00021231172
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyP13945155Homo sapiens (Human)0.00021043473
Q92830Histone acetyltransferase KAT2A (EC 2.3.1.48) (General control of amino acid ...Acetyltransferase family, GCN5 subfamilyQ928302648Homo sapiens (Human)0.0002099574
P14902Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase)Indoleamine 2,3-dioxygenase familyP149023620Homo sapiens (Human)0.00020979175
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familyQ9972010280Homo sapiens (Human)0.00020657576
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (Aldosterone-synthesizing enzyme) (CYPXIB2) ...Cytochrome P450 familyP190991585Homo sapiens (Human)0.00020440377
P14555Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA ...Phospholipase A2 familyP145555320Homo sapiens (Human)0.000204478
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyP415953357Homo sapiens (Human)0.00020439279
P09917Polyunsaturated fatty acid 5-lipoxygenase (EC 1.13.11.-) (Arachidonate 5-lipoxygenase) (5-LO) (5-lipoxygenase) ...Lipoxygenase familyP09917240Homo sapiens (Human)0.00020436980
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00020360581
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00020309382
P28482Mitogen-activated protein kinase 1 (MAP kinase 1) (MAPK 1) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...P284825594Homo sapiens (Human)0.00020262183
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00020180984
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.00019850485
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyP155381584Homo sapiens (Human)0.00019770886
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.00019746887
P54132RecQ-like DNA helicase BLM (EC 3.6.4.12) (Bloom syndrome protein) (DNA ...Helicase family, RecQ subfamilyP54132641Homo sapiens (Human)0.00019690488
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyQ9Y5Y411251Homo sapiens (Human)0.00019588489
P52732Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ...TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamilyP527323832Homo sapiens (Human)0.00019578490
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.0001956991
P00352Aldehyde dehydrogenase 1A1 (EC 1.2.1.19) (EC 1.2.1.28) (EC 1.2.1.3) (EC ...Aldehyde dehydrogenase familyP00352216Homo sapiens (Human)0.00019346492
P10253Lysosomal alpha-glucosidase (EC 3.2.1.20) (Acid maltase) (Aglucosidase alfa) [Cleaved into: ...Glycosyl hydrolase 31 familyP102532548Homo sapiens (Human)0.00019197693
P16050Polyunsaturated fatty acid lipoxygenase ALOX15 (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) (12-LOX) ...Lipoxygenase familyP16050246Homo sapiens (Human)0.00019131394
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00018758895
P59538Taste receptor type 2 member 31 (T2R31) (Taste receptor type ...G-protein coupled receptor T2R familyP59538259290Homo sapiens (Human)0.00018703296
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyP353545743Homo sapiens (Human)0.00018527397
Q96RJ0Trace amine-associated receptor 1 (TaR-1) (Trace amine receptor 1)G-protein coupled receptor 1 familyQ96RJ0134864Homo sapiens (Human)0.00018086798
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00017926999
P15289Arylsulfatase A (ASA) (EC 3.1.6.8) (Cerebroside-sulfatase) [Cleaved into: Arylsulfatase A ...Sulfatase familyP15289410Homo sapiens (Human)0.000177551100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
188662025-11-05
21:48:30		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 100Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 353463 | Page view: 2650447

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.