Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | HMGCR | P04035 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PDE6D | O43924 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3313 | 0.87 | HMGCR (0.54) | PTGS2HMGCRHDAC1HDAC2HDAC6 | |
| SCHEMBL3135 | 0.83 | ALDH1A1 (0.45) | PTGS2HMGCRHDAC1HDAC2HDAC6 | |
| SCHEMBL7922156 | 0.82 | ALDH1A1 (0.43) | PTGS2HMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL2768 | 0.81 | PTGS2 (0.53) | PTGS2ALDH1A1GCGRL3MBTL1NPC1 | |
| SCHEMBL15000315 | 0.80 | HMGCR (0.52) | PTGS2HMGCRHDAC1HDAC2HDAC6 | |
| SCHEMBL2211 | 0.79 | ALDH1A1 (0.47) | PTGS2ALDH1A1GCGRL3MBTL1NPC1 | |
| SCHEMBL13847948 | 0.79 | ALDH1A1 (0.42) | PTGS2HMGCRHDAC1HDAC2HDAC6 | |
| SCHEMBL15481445 | 0.79 | ALDH1A1 (0.47) | PTGS2ALDH1A1GCGRL3MBTL1NPC1 | |
| SCHEMBL13847940 | 0.78 | ALDH1A1 (0.41) | PTGS2HMGCRHDAC1HDAC2HDAC6 | |
| SCHEMBL1752130 | 0.78 | HMGCR (0.56) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |