Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 14/20 | 0.54 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 3/20 | 0.34 |
| ▸ | CDK8 | P49336 | 3/20 | 0.34 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.33 |
| ▸ | CDK19 | Q9BWU1 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20203300 | 0.81 | TRPA1 (0.48) | TRPA1 | |
| SCHEMBL23718270 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2CYP3A4 | |
| SCHEMBL20203299 | 0.80 | TRPA1 (0.49) | TRPA1 | |
| SCHEMBL20203383 | 0.79 | TRPA1 (0.50) | TRPA1 | |
| SCHEMBL20203409 | 0.74 | TRPA1 (0.52) | TRPA1 | |
| SCHEMBL29434767 | 0.70 | TRPA1 (1.00) | TRPA1 | |
| SCHEMBL20187497 | 0.70 | TRPA1 (1.00) | TRPA1 | |
| SCHEMBL20203276 | 0.68 | TRPA1 (0.41) | TRPA1 | |
| SCHEMBL22210245 | 0.66 | TRPA1 (0.38) | TRPA1 | |
| SCHEMBL23718276 | 0.66 | TRPA1 (0.50) | 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-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |