Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 5/20 | 0.39 |
| ▸ | RBP4 | P02753 | 3/20 | 0.38 |
| ▸ | CFTR | P13569 | 2/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6445636 | 0.89 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL7073321 | 0.89 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6441266 | 0.89 | CYP2D6 (0.60) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6473347 | 0.88 | CYP2C9 (0.47) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6441429 | 0.86 | CYP2C19 (0.49) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6441534 | 0.84 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6441531 | 0.84 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL9942597 | 0.84 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL1763119 | 0.83 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL2633280 | 0.83 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4SMN1; SMN2 |
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 |