Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL2299428 | 0.92 | CYP2C9 (0.71) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL2295647 | 0.92 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL12423705 | 0.91 | CYP2C9 (0.74) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL2299031 | 0.91 | CYP2C9 (0.66) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL2299484 | 0.89 | CYP2C9 (0.64) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL12422667 | 0.88 | CYP2C9 (0.86) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL16199298 | 0.88 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| Nesbuvir SCHEMBL2513096 | 0.88 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| Nesbuvir SCHEMBL29399543 | 0.88 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19KCNH2 | |
| SCHEMBL2300471 | 0.88 | CYP2C9 (0.64) | CYP2C9CYP3A4CYP2C19KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011103063-A1 | THERAPEUTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-08-25 | — | — | WO | disclosed |