Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7477550 | 0.83 | CYP2D6 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL9766031 | 0.75 | SLC6A2 (0.49) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL7474002 | 0.73 | SIGMAR1 (0.53) | CYP1A2 | |
| SCHEMBL9412428 | 0.67 | CYP2D6 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL9114880 | 0.66 | SLC6A2 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL5473688 | 0.65 | HTR2C (0.47) | ROCK2ROCK1HTR2CCYP1A2CYP3A4 | |
| SCHEMBL5330905 | 0.65 | SLC6A2 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| Hydrochloric Acid SCHEMBL31045885 | 0.64 | HTR2C (0.47) | ROCK2ROCK1HTR2CCYP1A2CYP3A4 | |
| Citric Acid SCHEMBL7477509 | 0.64 | HTR1A (0.43) | CYP1A2 | |
| SCHEMBL9443686 | 0.63 | KDM4E (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 |
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-1007522-A1 | 2- 4-[4-(4, 5-DICHLORO -2-METHYLIMIDAZOL-1-YL) BUTYL]-1-PIPERAZINYL -5-FLUOROPYRIMIDINE,PREPARATION AND THERAPEUTIC USE | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2000-06-14 | — | — | EP | claimed |
| WO-1998055476-A1 | 2-{4-[4-(4,5-DICHLORO-2- METHYLIMIDAZOL-1-YL)BUTYL] -1-PIPERAZINYL}-5-FLUOROPYRIMIDINE, PREPARATION AND THERAPEUTIC USE | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1998-12-10 | — | — | WO | claimed |