Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL15160718 | 0.73 | TRPA1 (0.40) | TRPA1ALDH1A1CA1CA9 | |
| SCHEMBL20897220 | 0.71 | TRPA1 (0.39) | TRPA1ALDH1A1CA1CA9 | |
| SCHEMBL19336228 | 0.71 | ALDH1A1 (0.42) | TRPA1ALDH1A1CA1CA9 | |
| SCHEMBL28304044 | 0.70 | ALDH1A1 (0.36) | TRPA1ALDH1A1CA1CA9 | |
| SCHEMBL14433584 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1872402 | 0.67 | TRPA1 (0.54) | TRPA1ALDH1A1CA1CA9 | |
| SCHEMBL6054987 | 0.65 | TRPA1 (0.35) | TRPA1ALDH1A1 | |
| SCHEMBL9173458 | 0.65 | TRPA1 (0.35) | TRPA1ALDH1A1 | |
| SCHEMBL7068087 | 0.65 | — | — | |
| SCHEMBL28822378 | 0.65 | ALDH1A1 (0.36) | TRPA1ALDH1A1CA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1047277-A | 2,3-dihydro-1,3-indene-dione derivative and contain the herbicidal composition of this material as active ingredient | MITSUBISHI CHEM IND (JP) | 1990-11-28 | — | — | CN | claimed |
| US-9977024-B2 | Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines | THE SCRIPPS RESEARCH INSTITUTE (US) | 2018-05-22 | — | — | US | disclosed |