Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CPT1A | P50416 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL6840352 | 0.80 | CYP3A4 (0.64) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13680530 | 0.79 | CYP2A6 (0.54) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL18002719 | 0.78 | MAPT (0.50) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL13680493 | 0.78 | CYP2A6 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2307283 | 0.77 | CYP2E1 (0.47) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL18002716 | 0.76 | RAB9A (0.60) | CPT1A | |
| SCHEMBL8198560 | 0.75 | CYP3A4 (0.60) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL26848733 | 0.75 | PIK3CA (0.45) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL26051112 | 0.74 | PIK3CA (0.43) | PIK3CAPI4KBPIK3CDPIK3CBPI4KA | |
| SCHEMBL7905176 | 0.73 | CYP3A4 (0.58) | 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 |