Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL12151912 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL2628937 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL12152032 | 0.89 | CYP2C19 (0.48) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL13281880 | 0.89 | CYP3A4 (0.50) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL12151992 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL14883414 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL12151985 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL12151888 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL14883416 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL13281408 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C19CYP2C9CYP2D6CYP1A2 |
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-1943221-B1 | PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2011-11-23 | — | — | EP | disclosed |