Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5225037 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4858094 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5224256 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4031979 | 0.75 | CYP3A4 (0.72) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6286079 | 0.75 | CYP3A4 (0.72) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4037919 | 0.75 | CYP3A4 (0.72) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5226536 | 0.73 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL5222447 | 0.73 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL3961272 | 0.73 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4038742 | 0.73 | CYP3A4 (0.51) | CYP3A4 |
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-1806346-B1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS INC (US) | 2009-07-22 | — | — | EP | disclosed |
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |