Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 16/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL758661 | 0.96 | CETP (0.50) | CETPMAPK14 | |
| SCHEMBL758660 | 0.96 | CETP (0.50) | CETPMAPK14 | |
| SCHEMBL760848 | 0.87 | CETP (0.53) | CETPKCNH2 | |
| SCHEMBL760849 | 0.87 | CETP (0.53) | CETPKCNH2 | |
| SCHEMBL13144045 | 0.84 | CETP (0.56) | CETPMAPK14KCNH2 | |
| SCHEMBL3068387 | 0.83 | CETP (0.57) | CETPKCNH2 | |
| SCHEMBL760961 | 0.83 | CETP (0.57) | CETPKCNH2 | |
| SCHEMBL760094 | 0.80 | CETP (0.45) | CETP | |
| SCHEMBL760095 | 0.80 | CETP (0.45) | CETP | |
| SCHEMBL760231 | 0.79 | CETP (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |