Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LIPC | P11150 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6613291 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9LIPC | |
| SCHEMBL6612602 | 0.92 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6257661 | 0.92 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6261058 | 0.92 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9LIPC | |
| SCHEMBL6261209 | 0.89 | DRD2 (0.37) | CYP1A2CYP3A4CYP2C9LIPC | |
| SCHEMBL6615762 | 0.89 | CYP3A4 (0.38) | CYP1A2CYP3A4CYP2C9LIPC | |
| SCHEMBL6258629 | 0.88 | LMNA (0.40) | CYP3A4CYP2C9LIPC | |
| SCHEMBL5965125 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5901345 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6259851 | 0.84 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2C9LIPC |
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-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | WO | disclosed |