Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 20/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258019 | 0.95 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6213182 | 0.91 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5257216 | 0.91 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5262897 | 0.86 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6219738 | 0.86 | CYP3A4 (0.75) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6215638 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6214467 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5265405 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5256756 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6215327 | 0.85 | CYP3A4 (0.67) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1491543-B1 | Intermediate compounds for the preparation of imidazo-pyridine derivates | ASTRAZENECA AB (SE) | 2007-09-05 | — | — | EP | claimed |