Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6191510 | 0.81 | PDE3B (0.34) | — | |
| SCHEMBL5353655 | 0.78 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL4038742 | 0.78 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL5901420 | 0.77 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL5965179 | 0.77 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL4859620 | 0.76 | CYP3A4 (0.63) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4329581 | 0.76 | CYP3A4 (0.63) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4038101 | 0.76 | CYP3A4 (0.63) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL773180 | 0.76 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL5901203 | 0.76 | CYP3A4 (0.62) | 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 6 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 |
| EP-1583751-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS, INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2005061470-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| WO-2004069818-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS INC. (US) | 2004-08-19 | — | — | WO | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | WO | disclosed |