Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 18/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8136776 | 0.92 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8804870 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8806511 | 0.87 | CYP2C9 (0.48) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7499692 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7505182 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7828059 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7509329 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4970701 | 0.83 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8806324 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6351638 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 |
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-1934215-A1 | ISOTOPICALLY SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | Nycomed GmbH (DE) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007039464-A1 | ISOTOPICALLY SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | NYCOMED GMBH (DE) | 2007-04-12 | — | — | WO | disclosed |