Job ID(s):

Results

Download as: CSV TSV

CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[K+]

Prepared SMILES:
FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)[O-])(F)F)(F)F)F

hsa04610Complement and coagulation cascades0.0004710271
hsa04510Focal adhesion0.0004349152
hsa04974Protein digestion and absorption0.0003653
hsa03320PPAR signaling pathway0.0003590484
hsa00100Steroid biosynthesis0.0003587025
hsa04915Estrogen signaling pathway0.0003483196
hsa04151PI3K-Akt signaling pathway0.0003427557
hsa04978Mineral absorption0.0003365588
hsa04640Hematopoietic cell lineage0.0003306939
hsa00920Sulfur metabolism0.00032084410
hsa04612Antigen processing and presentation0.00030225511
hsa04216Ferroptosis0.00027702912
hsa04115p53 signaling pathway0.00025249613
hsa04924Renin secretion0.00024886214
hsa00910Nitrogen metabolism0.00023721315
hsa04010MAPK signaling pathway0.0002350116
hsa04657IL-17 signaling pathway0.00022952617
hsa04923Regulation of lipolysis in adipocytes0.00022654918
hsa04964Proximal tubule bicarbonate reclamation0.00020468619
hsa04668TNF signaling pathway0.00020423620
hsa04062Chemokine signaling pathway0.00020381621
hsa04015Rap1 signaling pathway0.00020329322
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00019908423
hsa04218Cellular senescence0.00019883524
hsa04068FoxO signaling pathway0.0001975125
hsa00480Glutathione metabolism0.00019741826
hsa00980Metabolism of xenobiotics by cytochrome P4500.00019662127
hsa04066HIF-1 signaling pathway0.00019566628
hsa04670Leukocyte transendothelial migration0.00019502129
hsa04918Thyroid hormone synthesis0.00019376730
hsa04960Aldosterone-regulated sodium reabsorption0.0001915931
hsa00380Tryptophan metabolism0.00018748432
hsa00900Terpenoid backbone biosynthesis0.00018434133
hsa04972Pancreatic secretion0.00018300734
hsa04970Salivary secretion0.00017892535
hsa04672Intestinal immune network for IgA production0.00017629136
hsa04913Ovarian steroidogenesis0.0001752737
hsa04210Apoptosis0.00017056838
hsa00010Glycolysis / Gluconeogenesis0.00016842639
hsa04520Adherens junction0.00016831340
hsa04971Gastric acid secretion0.00016559541
hsa04110Cell cycle0.00016474842
hsa04926Relaxin signaling pathway0.00016386543
hsa04310Wnt signaling pathway0.00015978544
hsa04928Parathyroid hormone synthesis, secretion and action0.00015829345
hsa04611Platelet activation0.00015753246
hsa01040Biosynthesis of unsaturated fatty acids0.00015751447
hsa00051Fructose and mannose metabolism0.0001563148
hsa00350Tyrosine metabolism0.0001562749
hsa04979Cholesterol metabolism0.00015496250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
199632026-01-08
18:49:21
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: 341966 | Page view: 2628800

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