Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 20/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.80 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.80 |
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 | |
|---|---|---|---|---|
| SCHEMBL4880932 | 0.90 | CYP3A4 (0.84) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1812197 | 0.90 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1815861 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL29405170 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7854644 | 0.89 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6217390 | 0.88 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL7550784 | 0.88 | CYP3A4 (0.98) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4170085 | 0.86 | CYP3A4 (0.83) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4888582 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4174598 | 0.85 | CYP3A4 (0.76) | 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 |
|---|---|---|---|---|---|---|---|
| US-6313136-B1 | FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2001-11-06 | — | — | US | claimed |