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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] (pinnitol)

Original SMILES:
C([C@H]([C@H]([C@@H]([C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Prepared SMILES:
O=N(=O)O[C@@H]([C@@H]([C@H](ON(=O)=O)CON(=O)=O)ON(=O)=O)[C@H](ON(=O)=O)CON(=O)=O

P21964Catechol O-methyltransferase (EC 2.1.1.6)Class I-like SAM-binding methyltransferase superfamily, Cation-dependent O-methyltransferase familyCOMT1312;Homo sapiens (Human)3.791661
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.896672
Q13936Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamilyCACNA1C775;Homo sapiens (Human)2.531793
Q99808Equilibrative nucleoside transporter 1 (Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter) (Equilibrative ...SLC29A/ENT transporter (TC 2.A.57) familySLC29A12030;Homo sapiens (Human)2.335944
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.142335
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.043516
P05067Amyloid-beta precursor protein (APP) (ABPP) (APPI) (Alzheimer disease amyloid protein) ...APP familyAPP351;Homo sapiens (Human)1.89627
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.84828
P27815cAMP-specific 3',5'-cyclic phosphodiesterase 4A (EC 3.1.4.53) (DPDE2) (PDE46)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4A5141;Homo sapiens (Human)1.792149
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.7734310
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.752311
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.6946712
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)1.6120513
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)1.6029414
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)1.5879315
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-subfamilyKCNH23757;Homo sapiens (Human)1.5596716
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.5408617
P78527DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ...PI3/PI4-kinase familyPRKDC5591;Homo sapiens (Human)1.4793718
P51677C-C chemokine receptor type 3 (C-C CKR-3) (CC-CKR-3) (CCR-3) (CCR3) ...G-protein coupled receptor 1 familyCCR31232;Homo sapiens (Human)1.4165619
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)1.4082720
P29475Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...NOS familyNOS14842;Homo sapiens (Human)1.3948621
P327544-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) (4-hydroxyphenylpyruvic acid oxidase) (4HPPD) (HPD) (HPPDase)4HPPD familyHPD3242;Homo sapiens (Human)1.3532522
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.3490223
Q08499cAMP-specific 3',5'-cyclic phosphodiesterase 4D (EC 3.1.4.53) (DPDE3) (PDE43)Cyclic nucleotide phosphodiesterase family, PDE4 subfamilyPDE4D5144;Homo sapiens (Human)1.3419724
P08246Neutrophil elastase (EC 3.4.21.37) (Bone marrow serine protease) (Elastase-2) (Human ...Peptidase S1 family, Elastase subfamilyELANE1991;Homo sapiens (Human)1.3354325
P36544Neuronal acetylcholine receptor subunit alpha-7Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA71139;89832;Homo sapiens (Human)1.2980226
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.2933127
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.2732128
P30542Adenosine receptor A1G-protein coupled receptor 1 familyADORA1134;Homo sapiens (Human)1.2516829
P49281Natural resistance-associated macrophage protein 2 (NRAMP 2) (Divalent cation transporter ...NRAMP familySLC11A24891;Homo sapiens (Human)1.2447430
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)1.2432331
P28039Acyloxyacyl hydrolase (EC 3.1.1.77) [Cleaved into: Acyloxyacyl hydrolase small subunit; ...AOAH313;Homo sapiens (Human)1.2145232
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.2145233
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-subfamilyHTR1A3350;Homo sapiens (Human)1.1810134
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.1765335
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.1421336
P11086Phenylethanolamine N-methyltransferase (PNMTase) (EC 2.1.1.28) (Noradrenaline N-methyltransferase)Class I-like SAM-binding methyltransferase superfamily, NNMT/PNMT/TEMT familyPNMT5409;Homo sapiens (Human)1.140737
Q01668Voltage-dependent L-type calcium channel subunit alpha-1D (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1D subfamilyCACNA1D776;Homo sapiens (Human)1.1230738
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.0978339
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)1.0928640
Q96RI0Proteinase-activated receptor 4 (PAR-4) (Coagulation factor II receptor-like 3) (Thrombin ...G-protein coupled receptor 1 familyF2RL39002;Homo sapiens (Human)1.0828641
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)1.0522342
Q9HBA0Transient receptor potential cation channel subfamily V member 4 (TrpV4) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV4 sub-subfamilyTRPV459341;Homo sapiens (Human)1.0490143
Q92831Histone acetyltransferase KAT2B (EC 2.3.1.48) (Histone acetyltransferase PCAF) (Histone acetylase ...Acetyltransferase family, GCN5 subfamilyKAT2B8850;Homo sapiens (Human)1.0039744
O76074cGMP-specific 3',5'-cyclic phosphodiesterase (EC 3.1.4.35) (cGMP-binding cGMP-specific phosphodiesterase) (CGB-PDE)Cyclic nucleotide phosphodiesterase familyPDE5A8654;Homo sapiens (Human)0.99794545
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)0.99254146
P25025C-X-C chemokine receptor type 2 (CXC-R2) (CXCR-2) (CDw128b) (GRO/MGSA receptor) ...G-protein coupled receptor 1 familyCXCR23579;Homo sapiens (Human)0.98961347
P28336Neuromedin-B receptor (NMB-R) (Epididymis tissue protein Li 185a) (Neuromedin-B-preferring bombesin ...G-protein coupled receptor 1 familyNMBR4829;Homo sapiens (Human)0.96996448
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.9646349
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.94756950
P43681Neuronal acetylcholine receptor subunit alpha-4Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA41137;Homo sapiens (Human)0.93929651
P35368Alpha-1B adrenergic receptor (Alpha-1B adrenoreceptor) (Alpha-1B adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1B sub-subfamilyADRA1B147;Homo sapiens (Human)0.93460552
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.92592953
P29474Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...NOS familyNOS34846;Homo sapiens (Human)0.90374154
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.8884155
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.88291956
P05362Intercellular adhesion molecule 1 (ICAM-1) (Major group rhinovirus receptor) (CD ...Immunoglobulin superfamily, ICAM familyICAM13383;Homo sapiens (Human)0.8824757
Q13946High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (EC 3.1.4.53) (HCP1) (TM22)Cyclic nucleotide phosphodiesterase family, PDE7 subfamilyPDE7A5150;Homo sapiens (Human)0.87963758
O60840Voltage-dependent L-type calcium channel subunit alpha-1F (Voltage-gated calcium channel subunit ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1F subfamilyCACNA1F778;Homo sapiens (Human)0.87732759
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.87124360
P28062Proteasome subunit beta type-8 (EC 3.4.25.1) (Low molecular mass protein ...Peptidase T1B familyPSMB85696;Homo sapiens (Human)0.86205761
P47869Gamma-aminobutyric acid receptor subunit alpha-2 (GABA(A) receptor subunit alpha-2)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA22555;Homo sapiens (Human)0.85197562
P34903Gamma-aminobutyric acid receptor subunit alpha-3 (GABA(A) receptor subunit alpha-3)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA32556;Homo sapiens (Human)0.84808663
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.84705864
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.83492665
P14867Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)Ligand-gated ion channel (TC 1.A.9) family, Gamma-aminobutyric acid receptor (TC ...GABRA12554;Homo sapiens (Human)0.83355366
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.82581767
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)0.82403868
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.81711669
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.80168770
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.80111171
P49841Glycogen synthase kinase-3 beta (GSK-3 beta) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3B2932;Homo sapiens (Human)0.78716872
P00352Retinal dehydrogenase 1 (RALDH 1) (RalDH1) (EC 1.2.1.-) (EC 1.2.1.36) ...Aldehyde dehydrogenase familyALDH1A1216;Homo sapiens (Human)0.77917873
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.77170874
P35218Carbonic anhydrase 5A, mitochondrial (EC 4.2.1.1) (Carbonate dehydratase VA) (Carbonic ...Alpha-carbonic anhydrase familyCA5A763;Homo sapiens (Human)0.76499575
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.75561876
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)0.7464477
P25024C-X-C chemokine receptor type 1 (CXC-R1) (CXCR-1) (CDw128a) (High affinity ...G-protein coupled receptor 1 familyCXCR13577;Homo sapiens (Human)0.73024978
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)0.72414579
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)0.71789980
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyTSHR7253;Homo sapiens (Human)0.70884881
P29274Adenosine receptor A2aG-protein coupled receptor 1 familyADORA2A135;Homo sapiens (Human)0.70282682
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)0.69884783
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.69318384
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)0.6887685
P49840Glycogen synthase kinase-3 alpha (GSK-3 alpha) (EC 2.7.11.26) (Serine/threonine-protein kinase ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, GSK-3 subfamilyGSK3A2931;Homo sapiens (Human)0.68075386
P20701Integrin alpha-L (CD11 antigen-like family member A) (Leukocyte adhesion glycoprotein ...Integrin alpha chain familyITGAL3683;Homo sapiens (Human)0.67024987
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)0.66937188
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)0.66901889
O15379Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)Histone deacetylase family, HD type 1 subfamilyHDAC38841;Homo sapiens (Human)0.66779590
P06737Glycogen phosphorylase, liver form (EC 2.4.1.1)Glycogen phosphorylase familyPYGL5836;Homo sapiens (Human)0.6658991
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.65851292
Q6P1M0Long-chain fatty acid transport protein 4 (FATP-4) (Fatty acid transport ...ATP-dependent AMP-binding enzyme familySLC27A410999;Homo sapiens (Human)0.65748593
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)0.65650694
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.65487595
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)0.65348696
Q8TDV5Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)G-protein coupled receptor 1 familyGPR119139760;Homo sapiens (Human)0.6400997
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.62448198
P50579Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamilyMETAP210988;Homo sapiens (Human)0.61730499
Q99895Chymotrypsin-C (EC 3.4.21.2) (Caldecrin)Peptidase S1 family, Elastase subfamilyCTRC11330;Homo sapiens (Human)0.615917100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
234172026-06-30
19:17:32		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 100Download

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