Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL4327396 | 0.93 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4333287 | 0.93 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4329406 | 0.93 | CYP3A4 (0.59) | CYP3A4 | |
| SCHEMBL6028488 | 0.93 | CYP3A4 (0.59) | CYP3A4 | |
| SCHEMBL4334506 | 0.93 | CYP3A4 (0.59) | CYP3A4 | |
| SCHEMBL6029741 | 0.91 | CYP3A4 (0.71) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4320603 | 0.91 | CYP3A4 (0.71) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL4331614 | 0.90 | CYP3A4 (0.57) | CYP3A4 | |
| SCHEMBL4331576 | 0.90 | CYP3A4 (0.57) | CYP3A4 | |
| SCHEMBL4323875 | 0.90 | CYP3A4 (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7115610-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-03 | — | — | US | claimed |