Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9563019 | 0.93 | ALDH1A1 (0.35) | ALDH1A1CYP1A2KDM4EALOX5PPARG | |
| SCHEMBL9563008 | 0.90 | ALDH1A1 (0.35) | ALDH1A1KDM4EALOX5PPARGPTGES | |
| SCHEMBL9563033 | 0.89 | ALOX5 (0.36) | ALDH1A1KDM4EALOX5PPARGPTGES | |
| SCHEMBL9562986 | 0.84 | PTGES (0.40) | ALDH1A1ALOX5PPARGPTGES | |
| SCHEMBL9563044 | 0.83 | ALOX5 (0.34) | ALDH1A1KDM4EALOX5PPARGPTGES | |
| SCHEMBL9562989 | 0.80 | CYP1A2 (0.37) | ALDH1A1CYP1A2KDM4EALOX5PPARG | |
| SCHEMBL9563014 | 0.80 | CYP1A2 (0.33) | ALDH1A1CYP1A2KDM4EALOX5PPARG | |
| SCHEMBL9563028 | 0.76 | CYP1A2 (0.38) | ALDH1A1CYP1A2KDM4EADORA3ADORA1 | |
| SCHEMBL9563010 | 0.75 | CYP1A2 (0.37) | ALDH1A1CYP1A2KDM4EADORA3ADORA1 | |
| SCHEMBL9563004 | 0.71 | CYP1A2 (0.34) | ALDH1A1CYP1A2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0573837-A1 | Acetal-containing pyrimidinylthioaliphatic acid derivatives useful as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-12-15 | — | — | EP | claimed |
| EP-0573837-A1 | Acetal-containing pyrimidinylthioaliphatic acid derivatives useful as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-12-15 | — | — | EP | disclosed |