Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10095033 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14308624 | 0.80 | CYP2C9 (0.69) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL13575601 | 0.78 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL15580323 | 0.78 | P2RX7 (0.44) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095032 | 0.76 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094993 | 0.75 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095035 | 0.74 | P2RX7 (0.43) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095030 | 0.74 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12624834 | 0.74 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12101627 | 0.74 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8 |
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-2009158394-A1 | DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-30 | — | — | WO | disclosed |