Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | TACR3 | P29371 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL10094985 | 0.80 | CYP2C9 (0.46) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL3558185 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL14386224 | 0.77 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL3556968 | 0.74 | CYP2C9 (0.44) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL4421109 | 0.73 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL1550461 | 0.73 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10326711 | 0.72 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10326033 | 0.70 | CYP2C9 (0.33) | CYP2C9 | |
| SCHEMBL1763634 | 0.70 | CYP2C9 (0.73) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL3553500 | 0.70 | CYP2C9 (0.44) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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 |