Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL10077425 | 0.83 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13898906 | 0.82 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10077546 | 0.75 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13898870 | 0.73 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10077420 | 0.72 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2628893 | 0.71 | CYP2C9 (0.63) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10078292 | 0.71 | CYP2C9 (0.38) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10077545 | 0.66 | CYP2C9 (0.35) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13898946 | 0.66 | CYP2C9 (0.58) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL10078288 | 0.65 | HTR2C (0.38) | CYP1A2 |
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-2013170-B1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |