Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GHSR | Q92847 | 5/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMO | Q99835 | 3/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431973 | 0.87 | CYP2C19 (0.76) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763412 | 0.84 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763409 | 0.84 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6431861 | 0.84 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763475 | 0.83 | CYP2C19 (0.73) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763473 | 0.83 | CYP2C19 (0.73) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6435656 | 0.83 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763438 | 0.81 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763436 | 0.81 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6435698 | 0.81 | CYP2D6 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1257276-A4 | ANTIVIRAL AZAINDOLE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1257276-A1 | ANTIVIRAL AZAINDOLE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001062255-A1 | ANTIVIRAL AZAINDOLE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-08-30 | — | — | WO | disclosed |