Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 8/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15580323 | 0.85 | P2RX7 (0.44) | P2RX7PDK2CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL10095013 | 0.84 | P2RX7 (0.41) | P2RX7PDK2TACR3CYP2C9CYP3A4 | |
| SCHEMBL15221338 | 0.83 | CYP3A4 (0.37) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15221343 | 0.83 | CYP3A4 (0.39) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16229137 | 0.82 | CYP3A4 (0.53) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15221337 | 0.81 | CYP3A4 (0.38) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18871518 | 0.81 | CYP3A4 (0.47) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15221242 | 0.81 | CYP3A4 (0.37) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15221362 | 0.81 | CYP3A4 (0.39) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15221319 | 0.81 | CYP3A4 (0.38) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 |
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 |