Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7494111 | 0.95 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6350950 | 0.91 | SMN1; SMN2 (0.54) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6216038 | 0.85 | CYP3A4 (0.78) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7494897 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6351698 | 0.84 | SMN1; SMN2 (0.45) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7497337 | 0.82 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7497823 | 0.82 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL4161190 | 0.80 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7499180 | 0.78 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6360465 | 0.78 | CYP3A4 (0.54) | 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 |