Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 4/20 | 0.43 |
| ▸ | SMO | Q99835 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6442492 | 0.92 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6442498 | 0.92 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6445201 | 0.84 | CYP2C9 (0.53) | CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL6445271 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6445792 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6445265 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6441344 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6445787 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6441347 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL571814 | 0.82 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4HTT |
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-6469006-B1 | PARTICULARLY FOR TREATING HIV INFECTIONS | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-22 | — | — | US | disclosed |