Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226324 | 0.92 | CYP3A4 (0.70) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7004868 | 0.91 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5225565 | 0.90 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5226235 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6277791 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6282564 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL5226211 | 0.85 | CYP3A4 (0.91) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6278227 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6285045 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14087054 | 0.84 | CYP3A4 (1.00) | 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-1339701-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002064576-A1 | HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2002-08-22 | — | — | WO | disclosed |