Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dothiepin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.97 |
| ▸ | SLC6A4 known ✓ | P31645 | 4/20 | 0.97 |
| ▸ | HRH1 | P35367 | 6/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.97 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.97 |
| ▸ | HTR2B | P41595 | 4/20 | 0.97 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.97 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.97 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.97 |
| ▸ | DRD2 | P14416 | 4/20 | 0.97 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.97 |
| ▸ | DRD3 | P35462 | 4/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.97 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.97 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.97 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.97 |
| ▸ | HTR2A | P28223 | 3/20 | 0.97 |
| ▸ | HTR2C | P28335 | 3/20 | 0.97 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.97 |
| ▸ | MC3R | P41968 | 3/20 | 0.97 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Dothiepin SCHEMBL29400117 | 1.00 | HRH1 (0.97) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL35427 | 1.00 | HRH1 (0.97) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL35426 | 1.00 | HRH1 (0.97) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL35428 | 1.00 | HRH1 (0.97) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL34483 | 0.99 | HRH1 (1.00) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL29369112 | 0.99 | HRH1 (1.00) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL684145 | 0.99 | HRH1 (1.00) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL3374653 | 0.99 | HRH1 (1.00) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL34482 | 0.99 | HRH1 (1.00) | HRH1ALDH1A1SLC6A2KCNH2HTR2B | |
| Dothiepin SCHEMBL15795798 | 0.88 | HTR2B (0.80) | HRH1ALDH1A1SLC6A2KCNH2HTR2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254564-A1 | COMBINATIONS COMPRISING 3-PHENYLSULFONYL-8-PIPERAZINYL-1YL-QUINOLINE | Glaxo Group Limited (GB) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009074607-A1 | COMBINATIONS COMPRISING 3-PHENYLSULFONYL-8-PIPERAZINYL-1YL-QUINOLINE | GLAXO GROUP LIMITED (GB) | 2009-06-18 | — | — | WO | disclosed |