Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606948 | 0.88 | NFKB1 (0.41) | TRPA1 | |
| SCHEMBL5177615 | 0.81 | TRPA1 (0.37) | TRPA1 | |
| SCHEMBL5177346 | 0.70 | CCR6 (0.39) | — | |
| SCHEMBL28608917 | 0.70 | NFKB1 (0.37) | — | |
| SCHEMBL4345398 | 0.70 | — | — | |
| SCHEMBL5179480 | 0.69 | NFKB1 (0.39) | — | |
| Ligustilide SCHEMBL28151404 | 0.66 | TRPA1 (1.00) | TRPA1 | |
| Ligustilide SCHEMBL11967666 | 0.66 | TRPA1 (1.00) | TRPA1 | |
| Ligustilide SCHEMBL4087027 | 0.66 | TRPA1 (1.00) | TRPA1 | |
| SCHEMBL28869856 | 0.63 | ALDH1A1 (0.46) | — |
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-115093315-A | Synthesis method of 2-benzylidene-3-cyclohexenone compound | 云南民族大学 | 2022-09-23 | — | — | CN | disclosed |