Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1733180 | 1.00 | CYP2C19 (0.45) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1733182 | 1.00 | CYP2C19 (0.45) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12151954 | 1.00 | CYP2C19 (0.45) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12151904 | 1.00 | CYP2C19 (0.45) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12151929 | 0.91 | CYP3A4 (0.37) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1733127 | 0.89 | CYP3A4 (0.44) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1733284 | 0.89 | CYP3A4 (0.44) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12151911 | 0.89 | CYP3A4 (0.44) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1732109 | 0.87 | CYP2C19 (0.48) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12152032 | 0.87 | CYP2C19 (0.48) | CYP2C19CYP2D6CYP2C9CYP3A4CYP1A2 |
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-1943221-B1 | PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2011-11-23 | — | — | EP | disclosed |
| US-7396830-B2 | Piperazine amidines as antiviral agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-07-08 | — | — | US | disclosed |