Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23964602 | 0.77 | — | — | |
| SCHEMBL23817279 | 0.74 | CYP3A4 (0.33) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14113062 | 0.73 | — | — | |
| SCHEMBL14226506 | 0.70 | CYP3A4 (0.32) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21470354 | 0.70 | CYP3A4 (0.32) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1072666 | 0.70 | CYP3A4 (0.33) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14226507 | 0.68 | CYP3A4 (0.31) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19293543 | 0.68 | CYP3A4 (0.31) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30929004 | 0.67 | CYP3A4 (0.30) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19387775 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006119295-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | COMBINATORX, INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |