Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.67 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP4 | P49662 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CASP9 | P55211 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | SNCA | P37840 | 6/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29260675 | 1.00 | TRPA1 (0.67) | TRPA1PARK7EGFRCASP1CASP3 | |
| SCHEMBL29260669 | 0.86 | CASP1 (0.52) | TRPA1CASP1CASP3CASP4CASP7 | |
| SCHEMBL29260666 | 0.86 | CASP1 (0.52) | TRPA1CASP1CASP3CASP4CASP7 | |
| SCHEMBL29260610 | 0.85 | MAPT (0.66) | TRPA1CASP1CASP3CASP4CASP7 | |
| SCHEMBL29260607 | 0.85 | MAPT (0.66) | TRPA1CASP1CASP3CASP4CASP7 | |
| SCHEMBL29260651 | 0.83 | APP (0.53) | TRPA1PARK7CASP1CASP3CASP4 | |
| SCHEMBL29260655 | 0.83 | APP (0.53) | TRPA1PARK7CASP1CASP3CASP4 | |
| SCHEMBL1061091 | 0.81 | TRPA1 (1.00) | TRPA1PARK7EGFRCHRM5ALDH1A1 | |
| SCHEMBL1061089 | 0.81 | TRPA1 (1.00) | TRPA1PARK7EGFRCHRM5ALDH1A1 | |
| SCHEMBL29260668 | 0.80 | ALDH1A1 (0.52) | TRPA1CASP1CASP3CASP4CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118184701-A | Phosphono-substituted 3-methyleneoxindole compound and preparation and application thereof | 浙江工业大学 | 2024-06-14 | — | — | CN | disclosed |