Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14604967 | 0.87 | PTGS1 (0.47) | PTGS1PTGS2NFE2L2ALOX5BACE1 | |
| SCHEMBL257116 | 0.78 | AHR (0.36) | PTGS1PTGS2 | |
| SCHEMBL16974768 | 0.78 | PTGS1 (0.36) | PTGS1PTGS2BACE1 | |
| SCHEMBL29239900 | 0.78 | PTGS2 (0.38) | PTGS1PTGS2ALOX5 | |
| SCHEMBL16962236 | 0.77 | PTGS1 (0.45) | PTGS1PTGS2NFE2L2ALOX5ACHE | |
| SCHEMBL16956532 | 0.75 | PTGS1 (0.44) | PTGS1PTGS2NFE2L2ALOX5ACHE | |
| SCHEMBL21241107 | 0.75 | PTGS1 (0.44) | PTGS1PTGS2NFE2L2ALOX5ACHE | |
| SCHEMBL24490222 | 0.72 | TUBB1 (0.44) | PTGS1NFE2L2ALOX5 | |
| SCHEMBL16167415 | 0.72 | NFE2L2 (0.65) | PTGS1PTGS2NFE2L2 | |
| SCHEMBL256055 | 0.72 | NFE2L2 (0.65) | PTGS1PTGS2NFE2L2 |
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 |