Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL13899210 | 0.79 | CYP2C9 (0.44) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL13119403 | 0.79 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1472512 | 0.79 | CYP2C9 (0.38) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1472515 | 0.79 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1473243 | 0.79 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL3933553 | 0.78 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL1762967 | 0.78 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL3561045 | 0.74 | CYP2C9 (0.35) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12751213 | 0.71 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL2213083 | 0.71 | CYP2C9 (0.43) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013170-A1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007127731-A1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-08 | — | — | WO | disclosed |