Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680738 | 0.84 | CYP3A4 (0.50) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680739 | 0.82 | ADORA2A (0.49) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680740 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680746 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680615 | 0.81 | CYP2E1 (0.47) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL15858765 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL6840352 | 0.80 | CYP3A4 (0.64) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13662750 | 0.80 | CDC25A (0.39) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13681267 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13681317 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |