Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.38 |
| ▸ | CASR | P41180 | 3/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3942436 | 0.91 | CASR (0.42) | CASRPDK1MKNK1 | |
| SCHEMBL3945206 | 0.91 | CASR (0.37) | ITGB1ITGA4CASRERAP1PDK1 | |
| SCHEMBL3945373 | 0.91 | CASR (0.37) | ITGB1ITGA4CASRERAP1PDK1 | |
| SCHEMBL3951648 | 0.91 | TSPO (0.37) | CASRPDK1BACE1ALOX5MKNK1 | |
| SCHEMBL3947316 | 0.91 | CASR (0.41) | CASRPDK1BACE1ALOX5MKNK1 | |
| SCHEMBL20827805 | 0.87 | PDK1 (0.40) | CASRERAP1PDK1MKNK1 | |
| SCHEMBL3946983 | 0.83 | CASR (0.43) | ITGB1ITGA4CASRPDK1 | |
| SCHEMBL3942446 | 0.83 | CASR (0.41) | CASRPDK1BACE1ALOX5 | |
| SCHEMBL3951654 | 0.82 | CASR (0.41) | CASRBACE1 | |
| SCHEMBL3945147 | 0.82 | TSPO (0.37) | CASRPDK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718632-B1 | PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SANOFI AVENTIS (FR) | 2009-04-22 | — | — | EP | claimed |