Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | USP7 | Q93009 | 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 | |
|---|---|---|---|---|
| SCHEMBL23639577 | 0.75 | PARP1 (0.38) | CRHR1ALDH1A1 | |
| SCHEMBL19712031 | 0.72 | TRPA1 (0.35) | TRPA1USP7 | |
| SCHEMBL19712019 | 0.72 | TRPA1 (0.35) | TRPA1USP7 | |
| SCHEMBL19711924 | 0.71 | TRPA1 (0.34) | TRPA1USP7 | |
| SCHEMBL20781338 | 0.70 | USP7 (0.40) | TRPA1ALDH1A1USP7 | |
| SCHEMBL19711916 | 0.69 | USP7 (0.51) | TRPA1ALDH1A1USP7 | |
| SCHEMBL20781305 | 0.69 | AHR (0.39) | TRPA1ALDH1A1USP7 | |
| SCHEMBL19712024 | 0.69 | POLB (0.45) | TRPA1USP7 | |
| SCHEMBL19712014 | 0.69 | TRPA1 (0.37) | TRPA1USP7 | |
| SCHEMBL19712036 | 0.68 | USP7 (0.39) | TRPA1ALDH1A1USP7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021141106-A1 | HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME | 住友化学株式会社 | 2021-07-15 | — | — | WO | disclosed |