Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10077538 | 0.72 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2628893 | 0.71 | CYP2C9 (0.63) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10078405 | 0.70 | CYP3A4 (0.63) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10078092 | 0.66 | CYP2C9 (0.35) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12523198 | 0.64 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10077421 | 0.64 | CYP2C9 (0.62) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2628867 | 0.62 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12649356 | 0.62 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2628894 | 0.62 | CYP2C9 (0.61) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12523545 | 0.62 | CYP2C9 (0.60) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013170-B1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |