Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | GHSR | Q92847 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 8/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763508 | 0.90 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763507 | 0.90 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763021 | 0.90 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763020 | 0.90 | CYP2C19 (0.70) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL9942600 | 0.89 | CYP2C19 (0.59) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL13639699 | 0.89 | CYP2C19 (0.59) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6438678 | 0.88 | CYP2C19 (0.68) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6435774 | 0.88 | CYP2C19 (0.68) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL2629061 | 0.86 | CYP2C19 (0.63) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL2633416 | 0.86 | CYP2C19 (0.63) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363705-B9 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2012-11-07 | — | — | EP | disclosed |
| EP-1363705-B1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2012-06-13 | — | — | EP | disclosed |