Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 17/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7496113 | 0.95 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6350950 | 0.94 | SMN1; SMN2 (0.54) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6216038 | 0.90 | CYP3A4 (0.78) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7494897 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4161190 | 0.85 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7499180 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6351698 | 0.83 | SMN1; SMN2 (0.45) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7494547 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6360465 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6433684 | 0.81 | SMN1; SMN2 (0.70) | 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-0971920-B1 | COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION | ASTRAZENECA AB (SE) | 2002-06-05 | — | — | EP | disclosed |
| US-6265415-B1 | ANTIULCER AGENT | ASTRAZENECA AB (SE) | 2001-07-24 | — | — | US | disclosed |