Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 20/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL758482 | 1.00 | CETP (0.59) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760456 | 0.96 | CETP (0.61) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760455 | 0.96 | CETP (0.61) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL761912 | 0.90 | CETP (0.57) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL761913 | 0.90 | CETP (0.57) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760969 | 0.89 | CETP (0.56) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760968 | 0.89 | CETP (0.56) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760778 | 0.87 | CETP (0.74) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760779 | 0.87 | CETP (0.74) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760229 | 0.86 | CETP (0.61) | CETPKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8642576-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |