Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL256044 | 0.86 | AHR (0.48) | AHRPTGS1PTGS2TYMP | |
| SCHEMBL14604967 | 0.86 | PTGS1 (0.47) | PTGS1PTGS2 | |
| SCHEMBL4716039 | 0.81 | ALDH1A1 (0.40) | AHRPTGS1PTGS2 | |
| SCHEMBL4716041 | 0.81 | ALDH1A1 (0.40) | AHRPTGS1PTGS2 | |
| SCHEMBL257122 | 0.78 | PTGS1 (0.41) | PTGS1PTGS2 | |
| SCHEMBL257120 | 0.77 | AHR (0.36) | AHRTYMP | |
| SCHEMBL13772832 | 0.77 | AHR (0.36) | AHRPTGS1PTGS2TYMP | |
| SCHEMBL16974768 | 0.77 | PTGS1 (0.36) | PTGS1PTGS2 | |
| SCHEMBL17655770 | 0.77 | TP53 (0.44) | AHRTYMP | |
| SCHEMBL256046 | 0.77 | AHR (0.50) | AHRRAPGEF4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |