Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 6/20 | 0.35 |
| ▸ | BCR | P11274 | 6/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10077421 | 0.82 | CYP2C9 (0.62) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12752449 | 0.82 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL30966670 | 0.79 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL2688411 | 0.79 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL13899202 | 0.77 | CYP2C9 (0.60) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12152014 | 0.77 | CYP2C9 (0.81) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12151715 | 0.76 | CYP2C9 (0.75) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12752456 | 0.76 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12752444 | 0.75 | CYP2C9 (0.78) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12751544 | 0.75 | CYP2C9 (0.77) | 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-2013170-B1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |