Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | EEF2K | O00418 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL13069463 | 1.00 | CES2 (0.41) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL3822984 | 1.00 | CES2 (0.41) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL4387988 | 0.83 | CNR2 (0.39) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL4385674 | 0.82 | TAAR1 (0.40) | CES2CES1CYP3A4KMT2AADRB2 | |
| SCHEMBL28369078 | 0.79 | CES2 (0.45) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL28369592 | 0.79 | CES2 (0.45) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL15540226 | 0.79 | CES2 (0.45) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL15539306 | 0.79 | CES2 (0.45) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL29015076 | 0.79 | CES2 (0.45) | CES2CES1CNR2CYP3A4GAA | |
| SCHEMBL606119 | 0.78 | LMNA (0.44) | CES2CES1RIPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796665-A4 | COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1796665-A2 | COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006033891-A2 | COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS | MERCK & CO., INC. (US) | 2006-03-30 | — | — | WO | disclosed |