Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 SCHEMBL8058728 | 1.00 | TRPA1 (0.58) | TRPA1MAPK1ALDH1A1 | |
| SCHEMBL100573 | 0.80 | — | — | |
| SCHEMBL11252823 | 0.80 | ALDH1A1 (0.54) | ALDH1A1 | |
| SCHEMBL828965 | 0.80 | — | — | |
| SCHEMBL4345614 | 0.80 | ALDH1A1 (0.54) | ALDH1A1 | |
| SCHEMBL100572 | 0.80 | — | — | |
| SCHEMBL1054557 | 0.80 | ALDH1A1 (0.54) | ALDH1A1 | |
| Crotonaldehyde SCHEMBL27954243 | 0.79 | — | — | |
| Crotonaldehyde SCHEMBL27900360 | 0.78 | — | — | |
| SCHEMBL30763989 | 0.76 | — | — |
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-6114565-A | Process for obtaining nitriles | MILLENNIUM SPECIALTY CHEMICALS (US) | 2000-09-05 | — | — | US | disclosed |