Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | GHSR | Q92847 | 8/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7655825 | 1.00 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7665279 | 0.92 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7657201 | 0.89 | CYP2C19 (0.58) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7658565 | 0.87 | CYP2C19 (0.55) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7662372 | 0.87 | CYP2C19 (0.55) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7661695 | 0.86 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6443726 | 0.85 | CYP2C19 (0.63) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL6443731 | 0.85 | CYP2C19 (0.63) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7651473 | 0.85 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL4247829 | 0.85 | CYP2C9 (0.52) | CYP2C19CYP2D6CYP2C9CYP3A4L3MBTL1 |
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-1105135-A4 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1105135-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000076521-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |