Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 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 | 9/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 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 | |
|---|---|---|---|---|
| SCHEMBL13575652 | 0.90 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095066 | 0.83 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095022 | 0.81 | CYP2C9 (0.51) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094986 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094979 | 0.79 | CYP3A4 (0.72) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL13575650 | 0.79 | P2RX7 (0.40) | CYP2C9CYP2D6CYP1A2CYP2C19P2RX7 | |
| SCHEMBL10094981 | 0.78 | CYP3A4 (0.54) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914969 | 0.78 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12625715 | 0.78 | CYP2C9 (0.46) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL9914925 | 0.77 | CYP2C9 (0.47) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009158394-A1 | DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-30 | — | — | WO | disclosed |