Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 12/20 | 0.48 |
| ▸ | HTR2C | P28335 | 8/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1E | P28566 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11269391 | 0.98 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL11263002 | 0.95 | HTR2A (0.53) | HTR2AHTR2CHTR2BHTR1AHTR1D | |
| SCHEMBL10401509 | 0.89 | HTR2C (0.56) | HTR2AHTR2CPDE4BHTR2BHTR1A | |
| SCHEMBL11258120 | 0.84 | HTR2C (0.68) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL17514730 | 0.83 | ALDH1A1 (0.50) | HTR2C | |
| SCHEMBL16874793 | 0.83 | CYP2D6 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL16446233 | 0.81 | CYP2D6 (0.51) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7723674 | 0.81 | ALDH1A1 (0.48) | HTR2C | |
| SCHEMBL29064016 | 0.81 | ALDH1A1 (0.48) | HTR2AHTR2CHTR2B | |
| SCHEMBL20789976 | 0.79 | ALDH1A1 (0.50) | CYP2D6HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0062019-A1 | New phenyl-perhydroazepines | Aktiebolaget Hässle (SE) | 1982-10-06 | — | — | EP | disclosed |