Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.32 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9562992 | 0.93 | ALDH1A1 (0.34) | ALDH1A1CYP1A2ALOX5PPARGPTGES | |
| SCHEMBL9563044 | 0.90 | ALOX5 (0.34) | ALDH1A1ALOX5PPARGKMT2APTGES | |
| SCHEMBL9563008 | 0.83 | ALDH1A1 (0.35) | ALDH1A1ALOX5PPARGPTGESPTGS2 | |
| SCHEMBL9563033 | 0.82 | ALOX5 (0.36) | ALDH1A1ALOX5PPARGPTGESPTGS2 | |
| SCHEMBL9562989 | 0.78 | CYP1A2 (0.37) | ALDH1A1CYP1A2ALOX5PPARGPTGES | |
| SCHEMBL9563014 | 0.78 | CYP1A2 (0.33) | ALDH1A1CYP1A2ALOX5PPARGPTGES | |
| SCHEMBL9562986 | 0.78 | PTGES (0.40) | ALDH1A1ALOX5PPARGPTGESPSEN1 | |
| SCHEMBL9563028 | 0.74 | CYP1A2 (0.38) | ALDH1A1CYP1A2KDM4EADORA3 | |
| SCHEMBL9563010 | 0.73 | CYP1A2 (0.37) | ALDH1A1CYP1A2KDM4EADORA3 | |
| SCHEMBL9368179 | 0.70 | ALOX5 (0.43) | ALDH1A1ALOX5PPARGPTGESPTGS2 |
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-0573837-A1 | Acetal-containing pyrimidinylthioaliphatic acid derivatives useful as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-12-15 | — | — | EP | disclosed |