Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2296946 | 0.92 | CYP2C9 (0.61) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2836711 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2295658 | 0.87 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL5495437 | 0.87 | CYP2C9 (0.56) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2839117 | 0.85 | CYP2C9 (0.58) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2299411 | 0.85 | CYP2C9 (0.80) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2839906 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2838680 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2841638 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2835951 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2 |
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 3 patents. 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 | claimed |
| WO-2011103063-A1 | THERAPEUTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-08-25 | — | — | WO | disclosed |
| WO-2011103063-A1 | THERAPEUTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-08-25 | — | — | WO | disclosed |