Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 20/20 | 0.56 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL14473520 | 0.92 | CETP (0.56) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1183706 | 0.91 | CETP (0.68) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1183710 | 0.91 | CETP (0.68) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12886611 | 0.89 | CETP (0.57) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12886512 | 0.88 | CETP (0.56) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12885986 | 0.88 | CETP (0.56) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12886606 | 0.87 | CETP (0.61) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12886268 | 0.86 | CETP (0.59) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12886161 | 0.86 | CETP (0.58) | CETPCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12885977 | 0.86 | CETP (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |