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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
 C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

Prepared SMILES:
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyCXCL83576;Homo sapiens (Human)0.0267468Known
P22310UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A454657;Homo sapiens (Human)0.0233341Known
P19224UDP-glucuronosyltransferase 1-6 (UDPGT 1-6) (UGT1*6) (UGT1-06) (UGT1.6) (EC 2.4.1.17) (Phenol-metabolizing ...UDP-glycosyltransferase familyUGT1A654578;Homo sapiens (Human)0.0221029Known
P22309UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...UDP-glycosyltransferase familyUGT1A154658;Homo sapiens (Human)0.0182962Known
P02768Serum albuminALB/AFP/VDB familyALB213;Homo sapiens (Human)0.0172296Known
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)0.0165893Known
Q4U2R8Solute carrier family 22 member 6 (Organic anion transporter 1) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A69356;Homo sapiens (Human)0.0157169Known
P02766Transthyretin (ATTR) (Prealbumin) (TBPA)Transthyretin familyTTR7276;Homo sapiens (Human)0.0156603Known
P25024C-X-C chemokine receptor type 1 (CXC-R1) (CXCR-1) (CDw128a) (High affinity ...G-protein coupled receptor 1 familyCXCR13577;Homo sapiens (Human)0.0152288Known
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.013384Known
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.0125346Known
O60218Aldo-keto reductase family 1 member B10 (EC 1.1.1.300) (EC 1.1.1.54) ...Aldo/keto reductase familyAKR1B1057016;Homo sapiens (Human)0.0120566Known
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)0.01143131
P36537UDP-glucuronosyltransferase 2B10 (UDPGT 2B10) (EC 2.4.1.17)UDP-glycosyltransferase familyUGT2B107365;Homo sapiens (Human)0.01134942
P42330Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ...Aldo/keto reductase familyAKR1C38644;Homo sapiens (Human)0.006438173
P51878Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ...Peptidase C14A familyCASP5838;Homo sapiens (Human)0.005475824
P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)0.005134485
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)0.004825816
Q8TCC7Solute carrier family 22 member 8 (Organic anion transporter 3) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A89376;Homo sapiens (Human)0.004685847
P25025C-X-C chemokine receptor type 2 (CXC-R2) (CXCR-2) (CDw128b) (GRO/MGSA receptor) ...G-protein coupled receptor 1 familyCXCR23579;Homo sapiens (Human)0.004655288
Q04828Aldo-keto reductase family 1 member C1 (EC 1.1.1.-) (20-alpha-hydroxysteroid dehydrogenase) ...Aldo/keto reductase familyAKR1C11645;Homo sapiens (Human)0.004113999
P52895Aldo-keto reductase family 1 member C2 (EC 1.-.-.-) (3-alpha-HSD3) (Chlordecone ...Aldo/keto reductase familyAKR1C21646;Homo sapiens (Human)0.0040140910
P55211Caspase-9 (CASP-9) (EC 3.4.22.62) (Apoptotic protease Mch-6) (Apoptotic protease-activating factor ...Peptidase C14A familyCASP9842;Homo sapiens (Human)0.0039596611
P14550Aldo-keto reductase family 1 member A1 (EC 1.1.1.2) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1A110327;Homo sapiens (Human)0.0039169312
Q9H2X9Solute carrier family 12 member 5 (Electroneutral potassium-chloride cotransporter 2) ...SLC12A transporter familySLC12A557468;Homo sapiens (Human)0.0038698113
Q9UBE0SUMO-activating enzyme subunit 1 (Ubiquitin-like 1-activating enzyme E1A) [Cleaved into: ...Ubiquitin-activating E1 familySAE110055;Homo sapiens (Human)0.0033219514
P15121Aldo-keto reductase family 1 member B1 (EC 1.1.1.300) (EC 1.1.1.372) ...Aldo/keto reductase familyAKR1B1231;Homo sapiens (Human)0.003316615
P07148Fatty acid-binding protein, liver (Fatty acid-binding protein 1) (Liver-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP12168;Homo sapiens (Human)0.0032317916
Q6ZQN7Solute carrier organic anion transporter family member 4C1 (OATP-H) (Organic ...Organo anion transporter (TC 2.A.60) familySLCO4C1353189;Homo sapiens (Human)0.0029376917
P17516Aldo-keto reductase family 1 member C4 (EC 1.1.1.-) (3-alpha-HSD1) (3-alpha-hydroxysteroid ...Aldo/keto reductase familyAKR1C41109;Homo sapiens (Human)0.0024306318
P04798Cytochrome P450 1A1 (EC 1.14.14.1) (CYPIA1) (Cytochrome P450 form 6) ...Cytochrome P450 familyCYP1A11543;Homo sapiens (Human)0.0022941719
P08686Steroid 21-hydroxylase (EC 1.14.14.16) (21-OHase) (Cytochrome P-450c21) (Cytochrome P450 21) ...Cytochrome P450 familyCYP21A21589;Homo sapiens (Human)0.0022735320
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1)Cytochrome P450 familyCYP1B11545;Homo sapiens (Human)0.0020983621
Q9NSA0Solute carrier family 22 member 11 (Organic anion transporter 4)Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A1155867;Homo sapiens (Human)0.0020642522
Q9UNQ0ATP-binding cassette sub-family G member 2 (Breast cancer resistance protein) ...ABC transporter superfamily, ABCG family, Eye pigment precursor importer (TC ...ABCG29429;Homo sapiens (Human)0.0020053923
Q8N0U8Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1-like ...VKOR familyVKORC1L1154807;Homo sapiens (Human)0.0019406824
Q9BQB6Vitamin K epoxide reductase complex subunit 1 (EC 1.17.4.4) (Vitamin ...VKOR familyVKORC179001;Homo sapiens (Human)0.0019406825
Q16850Lanosterol 14-alpha demethylase (LDM) (EC 1.14.14.154) (CYPLI) (Cytochrome P450 51A1) ...Cytochrome P450 familyCYP51A11595;Homo sapiens (Human)0.0018500726
P11712Cytochrome P450 2C9 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C91559;Homo sapiens (Human)0.0018430127
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.0017299328
Q15465Sonic hedgehog protein (SHH) (HHG-1) (Shh unprocessed N-terminal signaling and ...Hedgehog familySHH6469;Homo sapiens (Human)0.0017248829
Q9Y4P1Cysteine protease ATG4B (EC 3.4.22.-) (AUT-like 1 cysteine endopeptidase) (Autophagin-1) ...Peptidase C54 familyATG4B23192;Homo sapiens (Human)0.0017138730
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)Cytochrome P450 familyTBXAS16916;Homo sapiens (Human)0.0017050731
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)0.0017006932
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.0016549433
O15439Multidrug resistance-associated protein 4 (ATP-binding cassette sub-family C member 4) ...ABC transporter superfamily, ABCC family, Conjugate transporter (TC 3.A.1.208) subfamilyABCC410257;Homo sapiens (Human)0.001597334
P05164Myeloperoxidase (MPO) (EC 1.11.2.2) [Cleaved into: Myeloperoxidase; 89 kDa myeloperoxidase; ...Peroxidase family, XPO subfamilyMPO4353;Homo sapiens (Human)0.0015929535
P49327Fatty acid synthase (EC 2.3.1.85) [Includes: [Acyl-carrier-protein] S-acetyltransferase (EC 2.3.1.38); ...FASN2194;Homo sapiens (Human)0.0015655936
O60603Toll-like receptor 2 (Toll/interleukin-1 receptor-like protein 4) (CD antigen CD282)Toll-like receptor familyTLR27097;Homo sapiens (Human)0.0015459737
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)0.0015070138
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)0.0014536839
Q01469Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP52171;Homo sapiens (Human)0.0014429840
P08183Multidrug resistance protein 1 (EC 7.6.2.2) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...ABCB15243;Homo sapiens (Human)0.0014260641
Q079731,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (24-OHase) (Vitamin D(3) 24-hydroxylase) (EC 1.14.15.16) ...Cytochrome P450 familyCYP24A11591;Homo sapiens (Human)0.0014172342
P21452Substance-K receptor (SKR) (NK-2 receptor) (NK-2R) (Neurokinin A receptor) (Tachykinin ...G-protein coupled receptor 1 familyTACR26865;Homo sapiens (Human)0.0013789843
P80365Corticosteroid 11-beta-dehydrogenase isozyme 2 (EC 1.1.1.-) (11-beta-hydroxysteroid dehydrogenase type 2) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B23291;Homo sapiens (Human)0.0013606144
P22736Nuclear receptor subfamily 4 group A member 1 (Early response ...Nuclear hormone receptor family, NR4 subfamilyNR4A13164;Homo sapiens (Human)0.0013511645
P04054Phospholipase A2 (EC 3.1.1.4) (Group IB phospholipase A2) (Phosphatidylcholine 2-acylhydrolase ...Phospholipase A2 familyPLA2G1B5319;Homo sapiens (Human)0.0013490946
Q07820Induced myeloid leukemia cell differentiation protein Mcl-1 (Bcl-2-like protein 3) ...Bcl-2 familyMCL14170;Homo sapiens (Human)0.0013331447
P33261Cytochrome P450 2C19 (EC 1.14.14.-) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyCYP2C191557;Homo sapiens (Human)0.001330348
P22460Potassium voltage-gated channel subfamily A member 5 (HPCN1) (Voltage-gated potassium ...Potassium channel family, A (Shaker) (TC 1.A.1.2) subfamily, Kv1.5/KCNA5 sub-subfamilyKCNA53741;Homo sapiens (Human)0.0012866749
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)0.001271150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
199262025-12-30
02:47:18		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network (version 2020)MACCS Downloadα = 0.4, β = 0.9, γ = -0.7, k = 2, Top 50Download

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