Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028411 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5403172 | 0.90 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6029005 | 0.86 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL4342077 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4336885 | 0.80 | CYP3A4 (0.65) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5409870 | 0.80 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5415521 | 0.79 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6028693 | 0.79 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL7142152 | 0.78 | CYP3A4 (0.65) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4329615 | 0.77 | CYP3A4 (0.66) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723129-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005061470-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-07-07 | — | — | WO | disclosed |