Predicted protein targets (top 15)
| 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 | 2/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441209 | 0.91 | CYP2C19 (0.66) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6442331 | 0.90 | CYP2C19 (0.57) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6441753 | 0.88 | CYP2C19 (0.66) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6441411 | 0.87 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6510638 | 0.87 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6441347 | 0.82 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6441344 | 0.82 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL6442498 | 0.82 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL6442492 | 0.82 | CYP2C19 (0.75) | CYP2C19CYP2D6CYP2C9CYP3A4HTT | |
| SCHEMBL10268954 | 0.82 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1299382-B1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-09-21 | — | — | EP | claimed |