Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 20/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL760905 | 0.89 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL760549 | 0.89 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL757358 | 0.89 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL757359 | 0.89 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13093206 | 0.81 | CETP (0.58) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13093196 | 0.81 | CETP (0.58) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL758622 | 0.80 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL761976 | 0.80 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL761975 | 0.80 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL758621 | 0.80 | CETP (0.62) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 |
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 |