Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8678382 | 0.86 | TLR7 (0.43) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E | |
| SCHEMBL8678693 | 0.85 | TLR7 (0.42) | TLR7ALDH1A1KDM4EHSD17B10L3MBTL1 | |
| SCHEMBL8135149 | 0.85 | TLR7 (0.42) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E | |
| SCHEMBL8677926 | 0.82 | GCGR (0.43) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E | |
| SCHEMBL8678115 | 0.82 | TLR7 (0.40) | CYP2C9TLR7ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL8141717 | 0.82 | ADORA2A (0.35) | CYP1A2CYP2C9TSHRRAB9ANPC1 | |
| SCHEMBL8678404 | 0.82 | GCGR (0.43) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E | |
| SCHEMBL8678060 | 0.82 | TLR7 (0.42) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E | |
| SCHEMBL8140303 | 0.81 | TLR7 (0.40) | TLR7ALDH1A1KDM4EHSD17B10L3MBTL1 | |
| SCHEMBL8677009 | 0.81 | TLR7 (0.40) | CYP1A2CYP2C9TLR7ALDH1A1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6054582-A | Process for pyrimidinone compounds | ROHM AND HAAS COMPANY (US) | 2000-04-25 | — | — | US | disclosed |
| US-6051710-A | USEFUL INTERMEDIATES IN THE PREPARATION OF PYRIMIDINONES | ROHM AND HAAS COMPANY (US) | 2000-04-18 | — | — | US | disclosed |
| US-5889184-A | Process for pyrimidinone compounds | PRINCETON UNIVERSITY (US) | 1999-03-30 | — | — | US | disclosed |
| EP-0812832-A1 | Improved process for pyrimidinone compounds | ROHM AND HAAS COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |
| CN-1162598-A | Improved process for pyrimidinone compounds | UNIV PRINCETON (US) | 1997-10-22 | — | — | CN | disclosed |