QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics

 

with links less than: (click 1st generation nodes to show/hide 2nd generation nodes)

Network of similar drugs (red spheres) is displayed above.
The red lines are used for the predicted similarities and the thickness of edges indicate the score of predicted similarities.

Data source: DrugBank-all; Query type: chemical-chemical; # of requested predictions: 20; Secondary interactions: yes
Input drug 1: Loxapine
Input drug 2: Doxepin
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB00408 Loxapine Thumb
2 Approved;
Investigational
SmallMoleculeDrug DB01142 Doxepin Thumb


20 similar drugs of input drug (DB00408): Loxapine Thumb
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image FuncSim StrucSim
1 Approved SmallMoleculeDrug DB01224 Quetiapine Thumb 99.7%
0.6705
2 Approved;
Investigational
SmallMoleculeDrug DB01238 Aripiprazole Thumb 99.7%
0.3509
3 Approved SmallMoleculeDrug DB00726 Trimipramine Thumb 99.7%
0.3978
4 Approved SmallMoleculeDrug DB00246 Ziprasidone Thumb 99.7%
0.3186
5 Approved;
Investigational
SmallMoleculeDrug DB14185 Aripiprazole lauroxil Thumb 99.7%
0.2548
6 Approved;
Investigational
SmallMoleculeDrug DB00934 Maprotiline Thumb 99.6%
0.2772
7 Approved;
Investigational
SmallMoleculeDrug DB01142 Doxepin Thumb 99.6%
0.3763
8 Approved SmallMoleculeDrug DB06153 Pizotifen Thumb 99.6%
0.303
9 Approved SmallMoleculeDrug DB09167 Dosulepin Thumb 99.6%
0.3763
10 Approved;
Investigational
SmallMoleculeDrug DB01403 Methotrimeprazine Thumb 99.5%
0.4667
11 Approved;
Investigational
SmallMoleculeDrug DB01151 Desipramine Thumb 99.5%
0.3548
12 Withdrawn SmallMoleculeDrug DB09194 Etoperidone Thumb 99.3%
0.2936
13 Approved;
Vet approved
SmallMoleculeDrug DB00420 Promazine Thumb 99.2%
0.4881
14 Approved SmallMoleculeDrug DB00777 Propiomazine Thumb 99.2%
0.4565
15 Approved SmallMoleculeDrug DB00540 Nortriptyline Thumb 99.1%
0.2857
16 Approved SmallMoleculeDrug DB06216 Asenapine Thumb 99.1%
0.5104
17 Approved SmallMoleculeDrug DB00696 Ergotamine Thumb 99.1%
0.2179
18 Approved;
Investigational
SmallMoleculeDrug DB00734 Risperidone Thumb 99.0%
0.2623
19 Approved;
Investigational
SmallMoleculeDrug DB06148 Mianserin Thumb 98.9%
0.4157
20 Approved;
Investigational
SmallMoleculeDrug DB01200 Bromocriptine Thumb 98.9%
0.1698


20 similar drugs of input drug (DB01142): Doxepin Thumb
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image FuncSim StrucSim
1 Approved;
Investigational
SmallMoleculeDrug DB00934 Maprotiline Thumb 99.6%
0.4471
2 Approved SmallMoleculeDrug DB09167 Dosulepin Thumb 99.6%
1.0
3 Approved SmallMoleculeDrug DB00408 Loxapine Thumb 99.6%
0.3763
4 Approved;
Investigational
SmallMoleculeDrug DB01403 Methotrimeprazine Thumb 99.5%
0.4318
5 Approved SmallMoleculeDrug DB01224 Quetiapine Thumb 99.4%
0.3824
6 Approved;
Investigational
SmallMoleculeDrug DB01238 Aripiprazole Thumb 99.4%
0.3333
7 Approved SmallMoleculeDrug DB00246 Ziprasidone Thumb 99.4%
0.3
8 Approved;
Investigational
SmallMoleculeDrug DB14185 Aripiprazole lauroxil Thumb 99.4%
0.2484
9 Approved SmallMoleculeDrug DB06153 Pizotifen Thumb 99.4%
0.4302
10 Withdrawn SmallMoleculeDrug DB09194 Etoperidone Thumb 99.4%
0.2617
11 Approved;
Vet approved
SmallMoleculeDrug DB00420 Promazine Thumb 99.3%
0.5063
12 Approved SmallMoleculeDrug DB00777 Propiomazine Thumb 99.3%
0.4222
13 Approved;
Investigational
SmallMoleculeDrug DB01151 Desipramine Thumb 99.2%
0.4634
14 Approved SmallMoleculeDrug DB00726 Trimipramine Thumb 99.2%
0.55
15 Approved;
Investigational;
Withdrawn
SmallMoleculeDrug DB01239 Chlorprothixene Thumb 98.8%
0.6351
16 Approved SmallMoleculeDrug DB00540 Nortriptyline Thumb 98.8%
0.5584
17 Approved;
Investigational
SmallMoleculeDrug DB06148 Mianserin Thumb 98.6%
0.5584
18 Approved SmallMoleculeDrug DB09195 Lorpiprazole Thumb 98.5%
0.25
19 Approved;
Investigational
SmallMoleculeDrug DB00734 Risperidone Thumb 98.5%
0.2437
20 Approved SmallMoleculeDrug DB00458 Imipramine Thumb 98.4%
0.6053



  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.