Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943461 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL893431 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4244758 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4252211 | 0.77 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL893562 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9943809 | 0.75 | CCR6 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL892734 | 0.74 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL272297 | 0.74 | CYP3A4 (0.69) | CYP3A4 | |
| SCHEMBL272296 | 0.74 | CYP3A4 (0.69) | CYP3A4 | |
| SCHEMBL4244320 | 0.73 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19 |
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-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |