Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | EIF4E | P06730 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.35 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.35 |
| ▸ | SMAD2 | Q15796 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL3550642 | 0.75 | KMT2A (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680744 | 0.73 | CYP3A4 (0.53) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL6885089 | 0.71 | SMN1; SMN2 (0.40) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL6840352 | 0.70 | CYP3A4 (0.64) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680738 | 0.70 | CYP3A4 (0.50) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680750 | 0.70 | ADORA2A (0.44) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680739 | 0.69 | ADORA2A (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680742 | 0.69 | CYP2E1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8198560 | 0.68 | CYP3A4 (0.60) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680746 | 0.68 | CYP3A4 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 |