Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 5/20 | 0.40 |
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | SMO | Q99835 | 2/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763408 | 0.89 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12523479 | 0.89 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL6443666 | 0.87 | CYP2D6 (0.77) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL2629026 | 0.86 | CYP2C19 (0.65) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL2628972 | 0.85 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1763814 | 0.85 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763812 | 0.85 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL1763609 | 0.85 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL6704354 | 0.85 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL2629030 | 0.84 | CYP2C19 (0.61) | 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 1 patent. 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 |