Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10077546 | 0.91 | CYP2C9 (0.42) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13898870 | 0.90 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10078292 | 0.86 | CYP2C9 (0.38) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10078092 | 0.83 | CYP2C9 (0.35) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10077420 | 0.81 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13898964 | 0.81 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2628893 | 0.81 | CYP2C9 (0.63) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3938306 | 0.80 | CYP2C9 (0.56) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13898961 | 0.80 | CYP2C9 (0.56) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3934564 | 0.77 | CYP2C9 (0.58) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 |
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 |