Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10095014 | 0.87 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL15580317 | 0.80 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10094992 | 0.79 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13592459 | 0.79 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10094984 | 0.78 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10095053 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12626341 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10095017 | 0.76 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10094987 | 0.76 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10095001 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C8CYP2D6 |
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-2303876-B1 | DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2014-03-19 | — | — | EP | disclosed |