Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PDE6D | O43924 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | GCGR | P47871 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10129258 | 0.86 | HMGCR (0.47) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL12617063 | 0.84 | HMGCR (0.46) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL17965448 | 0.83 | HMGCR (0.45) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL16070782 | 0.82 | HMGCR (0.45) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL13538 | 0.82 | HMGCR (0.61) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL12809951 | 0.81 | ABCC3 (0.44) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL5698777 | 0.81 | HMGCR (0.49) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL27607738 | 0.79 | HMGCR (0.44) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL7920443 | 0.78 | GCGR (0.43) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL2574913 | 0.77 | ABCC3 (0.80) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37314-E1 | Pyrimidine derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-08-07 | — | — | US | disclosed |
| US-5260440-A | Anticholesterol agents | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-11-09 | — | — | US | disclosed |
| EP-0521471-A1 | Pyrimidine derivatives as HMG-CoA reductase inhibitors | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-01-07 | — | — | EP | disclosed |