Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680757 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL13681064 | 0.76 | LMNA (0.39) | PDE10AKDM4EALDH1A1TP53HPGD | |
| SCHEMBL19002406 | 0.73 | CYP3A4 (0.47) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL13680744 | 0.72 | CYP3A4 (0.53) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL13680755 | 0.70 | CYP2E1 (0.44) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL6840352 | 0.69 | CYP3A4 (0.64) | CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680738 | 0.69 | CYP3A4 (0.50) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL13680689 | 0.69 | CYP2A6 (0.49) | ADORA2AADORA1CYP2A6TGFBR1 | |
| SCHEMBL13680739 | 0.68 | ADORA2A (0.49) | ADORA2AADORA1CYP3A4CYP2E1CYP2A6 | |
| SCHEMBL13680742 | 0.68 | CYP2E1 (0.45) | 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 |