Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 20/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL757172 | 1.00 | CETP (0.53) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL757171 | 1.00 | CETP (0.53) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760496 | 1.00 | CETP (0.53) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760495 | 1.00 | CETP (0.53) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13092131 | 0.93 | CETP (0.51) | CETPKCNH2 | |
| SCHEMBL14297713 | 0.92 | CETP (0.46) | CETPKCNH2 | |
| SCHEMBL761428 | 0.91 | CETP (0.49) | CETPKCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL760221 | 0.89 | CETP (0.57) | CETPKCNH2 | |
| SCHEMBL758100 | 0.89 | CETP (0.55) | CETPKCNH2 | |
| SCHEMBL760072 | 0.89 | CETP (0.55) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |