Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | GHSR | Q92847 | 9/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6442026 | 0.93 | CYP2D6 (0.56) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6442025 | 0.93 | CYP2D6 (0.56) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6440927 | 0.92 | CYP2C19 (0.53) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6443789 | 0.92 | CYP2D6 (0.54) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6440925 | 0.92 | CYP2C19 (0.53) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6442629 | 0.90 | CYP2C19 (0.52) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6442632 | 0.90 | CYP2C19 (0.52) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6446853 | 0.90 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6446856 | 0.90 | CYP2C19 (0.51) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR | |
| SCHEMBL6441166 | 0.87 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP2C9CYP3A4GHSR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002004440-A9 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-11-03 | — | — | WO | claimed |
| EP-1299382-A4 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2004-02-11 | — | — | EP | claimed |
| EP-1299382-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-04-09 | — | — | EP | claimed |
| WO-2002004440-A1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-01-17 | — | — | WO | claimed |