Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184015 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6205691 | 0.80 | KCNH2 (0.51) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5224373 | 0.80 | IDO1 (0.48) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4862557 | 0.78 | CYP3A4 (0.63) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4036205 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6259496 | 0.75 | RAB9A (0.54) | CYP1A2CYP2C9 | |
| SCHEMBL7005719 | 0.74 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4867229 | 0.74 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4035200 | 0.74 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5965204 | 0.73 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |