Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Crotonaldehyde SCHEMBL10952062 | 1.00 | TRPA1 (0.58) | TRPA1MAPK1ALDH1A1 | |
| Benzene SCHEMBL28145040 | 0.80 | TRPA1 (0.79) | TRPA1MAPK1ALDH1A1 | |
| Thiophene SCHEMBL9620475 | 0.80 | — | — | |
| Thiophene SCHEMBL3008745 | 0.77 | — | — | |
| Thiophene SCHEMBL6493449 | 0.77 | TSHR (0.40) | — | |
| Thiophene SCHEMBL1539835 | 0.76 | — | — | |
| Crotonaldehyde SCHEMBL38450 | 0.76 | — | — | |
| Crotonaldehyde SCHEMBL3482634 | 0.76 | — | — | |
| Crotonaldehyde SCHEMBL254155 | 0.76 | TRPA1 (1.00) | TRPA1MAPK1ALDH1A1 | |
| Crotonaldehyde SCHEMBL8519220 | 0.76 | TRPA1 (1.00) | TRPA1MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4143052-A | REACTING HYDROGEN SULFIDE AND AN UNSATURATED (THIO-) CARBONYL | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1979-03-06 | — | — | US | disclosed |