Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12587156 | 0.85 | TRPA1 (0.41) | TRPA1 | |
| SCHEMBL13916921 | 0.85 | TRPA1 (0.41) | TRPA1 | |
| SCHEMBL12503470 | 0.85 | GRIN1 (0.33) | TRPA1 | |
| SCHEMBL8520602 | 0.85 | NR1H2 (0.30) | — | |
| SCHEMBL17019835 | 0.83 | TRPA1 (0.31) | TRPA1 | |
| SCHEMBL15886149 | 0.82 | GAA (0.36) | TRPA1 | |
| SCHEMBL12586964 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL15764597 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL16132674 | 0.80 | — | — | |
| SCHEMBL12284775 | 0.80 | TSHR (0.39) | TRPA1 |
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-2012083224-A1 | BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-21 | — | — | WO | disclosed |