Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5395174 | 0.97 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9DRD2DRD3 | |
| SCHEMBL5398561 | 0.95 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5402953 | 0.92 | CYP3A4 (0.43) | CYP3A4 | |
| SCHEMBL5390557 | 0.90 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5392373 | 0.90 | SLC6A2 (0.42) | CYP3A4 | |
| SCHEMBL5390514 | 0.90 | CYP3A4 (0.43) | CYP3A4DRD2DRD3 | |
| SCHEMBL5402921 | 0.89 | SLC6A2 (0.41) | CYP3A4 | |
| SCHEMBL5404154 | 0.88 | DRD3 (0.45) | CYP3A4DRD2DRD3 | |
| SCHEMBL5399874 | 0.88 | HRH3 (0.44) | CYP3A4 | |
| SCHEMBL6029126 | 0.88 | HRH3 (0.44) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007514769-A | — | — | 2007-06-07 | — | — | JP | claimed |
| EP-1723129-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2006-11-22 | — | — | EP | claimed |
| WO-2005061470-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-07-07 | — | — | WO | claimed |
| 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 |