Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL8119633 | 0.83 | CYP2D6 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL7474002 | 0.60 | SIGMAR1 (0.53) | — | |
| SCHEMBL8538717 | 0.59 | ALDH1A1 (0.40) | SLC6A4ALDH1A1 | |
| SCHEMBL8416539 | 0.58 | HTR2A (0.55) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9114880 | 0.58 | SLC6A2 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL6200965 | 0.57 | HTR2C (0.41) | — | |
| SCHEMBL6391843 | 0.56 | CYP1A2 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL9412428 | 0.56 | CYP2D6 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5330905 | 0.56 | SLC6A2 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL29024014 | 0.56 | KDM4E (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 |
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-B1 | 2- 4-[4-(4,5-DICHLORO-2-METHYLIMIDAZOL-1-YL)BUTYL]PIPERAZIN-1-YL -5-FLUOROPYRIMIDINE, ITS PREPARATION AND THERAPEUTIC USE | ESTEVE LABOR DR (ES) | 2002-11-20 | — | — | EP | disclosed |
| 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 | disclosed |