Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3946983 | 0.93 | CASR (0.43) | CASRALDH1A1TSPOACACBCNR1 | |
| SCHEMBL3942465 | 0.91 | CASR (0.41) | CASRACACBCNR1 | |
| SCHEMBL3951537 | 0.91 | CASR (0.46) | CASRMAPK1ALDH1A1AOC3CYP1A2 | |
| SCHEMBL3945390 | 0.90 | CASR (0.42) | CASRTDP1ALDH1A1AOC3CYP1A2 | |
| SCHEMBL4036518 | 0.90 | CASR (0.40) | CASRALDH1A1CNR2CNR1 | |
| SCHEMBL3945754 | 0.88 | CASR (0.41) | CASRALDH1A1ACACBCNR1 | |
| SCHEMBL3942446 | 0.85 | CASR (0.41) | CASRACACBCNR1 | |
| SCHEMBL3951654 | 0.85 | CASR (0.41) | CASRTDP1OPRM1CNR1 | |
| SCHEMBL3945231 | 0.84 | HPGD (0.40) | CASRALDH1A1 | |
| SCHEMBL3942436 | 0.79 | CASR (0.42) | CASRALDH1A1 |
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 |