Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HMGCR | P04035 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | PDE6D | O43924 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3313 | 0.92 | HMGCR (0.54) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL13847948 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL7922156 | 0.86 | ALDH1A1 (0.43) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL13847940 | 0.86 | ALDH1A1 (0.41) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL13847937 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL15000315 | 0.84 | HMGCR (0.52) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL13847945 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL2880 | 0.83 | PTGS2 (0.45) | ALDH1A1HMGCRCYP3A4PDE6DNR1I2 | |
| SCHEMBL15481445 | 0.81 | ALDH1A1 (0.47) | ALDH1A1PTGS2L3MBTL1GCGRKDM4E | |
| SCHEMBL2768 | 0.81 | PTGS2 (0.53) | ALDH1A1PTGS2L3MBTL1GCGRKDM4E |
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 |