Job ID(s):

Results

Download as: CSV TSV

CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
O=C1C(O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]([C@@H]2O)CO)=C(C(C=C3)=CC(O)=C3O)OC4=CC(O)=CC(O)=C14

Prepared SMILES:
OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O

hsa04610Complement and coagulation cascades0.0006249611
hsa04510Focal adhesion0.0005305932
hsa03320PPAR signaling pathway0.0004802933
hsa04915Estrogen signaling pathway0.0004555464
hsa04151PI3K-Akt signaling pathway0.000451535
hsa04974Protein digestion and absorption0.0004483166
hsa00100Steroid biosynthesis0.000448147
hsa04640Hematopoietic cell lineage0.0004252658
hsa04978Mineral absorption0.0004251249
hsa04612Antigen processing and presentation0.00037237410
hsa04216Ferroptosis0.00036329711
hsa04657IL-17 signaling pathway0.00031908212
hsa04115p53 signaling pathway0.00031770813
hsa04924Renin secretion0.00030380814
hsa04010MAPK signaling pathway0.00029116615
hsa04066HIF-1 signaling pathway0.00026883316
hsa04015Rap1 signaling pathway0.00026458617
hsa04062Chemokine signaling pathway0.00026417218
hsa04964Proximal tubule bicarbonate reclamation0.00026258719
hsa04670Leukocyte transendothelial migration0.00026231820
hsa04218Cellular senescence0.00025647821
hsa04068FoxO signaling pathway0.00025446122
hsa04668TNF signaling pathway0.00025024623
hsa04923Regulation of lipolysis in adipocytes0.00024956624
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024893125
hsa04918Thyroid hormone synthesis0.0002449926
hsa04960Aldosterone-regulated sodium reabsorption0.00024379727
hsa04520Adherens junction0.00024350328
hsa04972Pancreatic secretion0.00023409229
hsa00380Tryptophan metabolism0.00023072630
hsa00980Metabolism of xenobiotics by cytochrome P4500.0002302131
hsa00250Alanine, aspartate and glutamate metabolism0.00022948232
hsa00480Glutathione metabolism0.00022654933
hsa04310Wnt signaling pathway0.00022604634
hsa00010Glycolysis / Gluconeogenesis0.00022286435
hsa00910Nitrogen metabolism0.00022189636
hsa04979Cholesterol metabolism0.0002213237
hsa04970Salivary secretion0.00022075838
hsa04210Apoptosis0.000216939
hsa04971Gastric acid secretion0.00021599640
hsa04350TGF-beta signaling pathway0.00021564841
hsa04926Relaxin signaling pathway0.00021169342
hsa00051Fructose and mannose metabolism0.00020979843
hsa04913Ovarian steroidogenesis0.00020962944
hsa04110Cell cycle0.0002059845
hsa00340Histidine metabolism0.00020462446
hsa04540Gap junction0.00020425347
hsa00350Tyrosine metabolism0.00019481648
hsa00982Drug metabolism - cytochrome P4500.00019219949
hsa04550Signaling pathways regulating pluripotency of stem cells0.00019078250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
229332026-06-03
21:56:53
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 485711 | Page view: 3022362

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