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 | 7/20 | 0.78 |
| ▸ | SLC6A4 known ✓ | P31645 | 5/20 | 0.78 |
| ▸ | HRH1 | P35367 | 7/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.78 |
| ▸ | HTR2B | P41595 | 5/20 | 0.78 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.78 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.78 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.78 |
| ▸ | DRD2 | P14416 | 5/20 | 0.78 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.78 |
| ▸ | DRD3 | P35462 | 5/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.78 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.78 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.78 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.78 |
| ▸ | HTR2A | P28223 | 4/20 | 0.78 |
| ▸ | HTR2C | P28335 | 4/20 | 0.78 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.78 |
| ▸ | MC3R | P41968 | 4/20 | 0.78 |
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 SCHEMBL3374653 | 0.89 | HRH1 (1.00) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL34482 | 0.89 | HRH1 (1.00) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL34483 | 0.89 | HRH1 (1.00) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL684145 | 0.89 | HRH1 (1.00) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL29369112 | 0.89 | HRH1 (1.00) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| SCHEMBL14386490 | 0.89 | LMNA (0.97) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Amitriptyline SCHEMBL3897883 | 0.89 | SLC6A2 (0.81) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| SCHEMBL30183506 | 0.89 | LMNA (0.97) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL3409482 | 0.87 | HRH1 (0.97) | SLC6A2HRH1KCNH2HTR2BCHRM2 | |
| Dothiepin SCHEMBL35427 | 0.87 | HRH1 (0.97) | SLC6A2HRH1KCNH2HTR2BCHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742707-A4 | TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS | HYPNION INC (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-1742707-A2 | TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS | Hypnion, Inc. (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005103041-A9 | TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS | HYPNION INC (US) | 2005-12-22 | — | — | WO | disclosed |
| WO-2005103041-A2 | TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS | HYPNION, INC. (US) | 2005-11-03 | — | — | WO | disclosed |