Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 13/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253463 | 0.82 | GSK3B (0.37) | GSK3BALDH1A1 | |
| Methylene Chloride SCHEMBL7089348 | 0.79 | — | — | |
| SCHEMBL7256271 | 0.77 | — | — | |
| SCHEMBL1720501 | 0.76 | — | — | |
| SCHEMBL28069297 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL6230305 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MAPK1 | |
| SCHEMBL28048586 | 0.74 | — | — | |
| SCHEMBL7088318 | 0.74 | — | — | |
| SCHEMBL7253131 | 0.74 | ADORA2A (0.35) | — | |
| SCHEMBL7085349 | 0.73 | OGG1 (0.41) | ALDH1A1MAPK1 |
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-2003031420-A1 | ISOTHIAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-04-17 | — | — | WO | disclosed |