Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 18/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.50 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100473 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7100471 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7008559 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7015039 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7009388 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7016930 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7011865 | 0.80 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7006012 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7008170 | 0.79 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7007982 | 0.78 | CYP3A4 (0.56) | 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-6613775-B1 | 8-(2,6-dimethylbenzylamino)-2-hydroxymethyl-3-methylimidazo(1, 2-a)pyridine used as antisecretory agents for prophylaxis of gastrointestinal disorders such as ulcers | ASTRAZENECA AB (SE) | 2003-09-02 | — | — | US | claimed |