Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 15/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL531373 | 0.92 | CETP (0.55) | CETPPTGDR2TBXA2RPTGDRCYP3A4 | |
| SCHEMBL531462 | 0.82 | CETP (0.53) | CETPPTGDR2TBXA2RPTGDR | |
| SCHEMBL3304177 | 0.79 | CETP (0.65) | CETPPTGDR2TBXA2RPTGDRCYP3A4 | |
| SCHEMBL531634 | 0.78 | CETP (0.66) | CETPPTGDR2TBXA2RPTGDRCYP3A4 | |
| SCHEMBL532575 | 0.78 | CETP (0.51) | CETP | |
| SCHEMBL3554310 | 0.77 | CETP (0.59) | CETPPTGDR2 | |
| SCHEMBL4183431 | 0.75 | CETP (0.67) | CETP | |
| SCHEMBL3553315 | 0.73 | CETP (0.59) | CETP | |
| SCHEMBL3554515 | 0.73 | CETP (0.59) | CETP | |
| SCHEMBL3556671 | 0.72 | CETP (0.60) | CETP |
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-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7652049-B2 | 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients | MERCK & CO., INC. (US) | 2010-01-26 | — | — | US | disclosed |