Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL19415763 | 0.82 | TRPA1 (0.42) | TRPA1PTGS1PTGS2ALOX5PDE2A | |
| SCHEMBL14193595 | 0.81 | TRPA1 (0.41) | TRPA1CYP1A2CYP2A6RARBLPL | |
| SCHEMBL19311402 | 0.78 | TRPA1 (0.38) | TRPA1PTGS1PTGS2ALOX5PDE2A | |
| SCHEMBL23220912 | 0.78 | TRPA1 (0.38) | TRPA1PTGS1PTGS2ALOX5PDE2A | |
| SCHEMBL23935701 | 0.78 | PLK1 (0.42) | TRPA1PTGS1PTGS2ALOX5PDE2A | |
| SCHEMBL2343149 | 0.74 | ALDH1A1 (0.55) | TRPA1ALDH1A1SMN1; SMN2RARBPLK1 | |
| SCHEMBL24992977 | 0.74 | SMN1; SMN2 (0.44) | TRPA1PTGS1PTGS2ALOX5PDE2A | |
| SCHEMBL9214669 | 0.74 | ALDH1A1 (0.45) | TRPA1ALDH1A1SMN1; SMN2PKMRARB | |
| SCHEMBL11806978 | 0.74 | ALDH1A1 (0.45) | TRPA1PDE2AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL28558537 | 0.74 | TRPA1 (0.35) | TRPA1PTGS1PTGS2ALOX5PDE2A |
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-2960316-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | DAINIPPON INK & CHEMICALS (JP) | 2018-06-06 | — | — | EP | disclosed |