Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 20/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL1817264 | 0.91 | CYP3A4 (0.90) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4158769 | 0.90 | CYP3A4 (0.93) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1815861 | 0.88 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL29405170 | 0.88 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL7550784 | 0.87 | CYP3A4 (0.98) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7853549 | 0.84 | CYP3A4 (0.82) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4982369 | 0.83 | CYP3A4 (0.78) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL1816215 | 0.82 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7854644 | 0.82 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5258282 | 0.81 | CYP3A4 (0.74) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2002060440-A1 | NOVEL FORMS OF 2,3-DIMETHYL-8-(2-ETHYL-6-METHYLBENZYLAMINO)-IMIDAZO (1,2-A)PYRIDINE-6-CARBOXAMIDE | ASTRAZENECA AB (SE) | 2002-08-08 | — | — | WO | disclosed |