Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9960578 | 0.88 | TRPA1 (0.34) | TRPA1TRPV4NPC1PKM | |
| SCHEMBL9960985 | 0.74 | NPC1 (0.36) | NPC1PKM | |
| SCHEMBL3263348 | 0.72 | TRPA1 (0.36) | TRPA1TRPV4NPC1PKM | |
| SCHEMBL2516435 | 0.66 | CTSA (0.30) | — | |
| SCHEMBL2473502 | 0.65 | PORCN (0.34) | TRPA1 | |
| SCHEMBL12322879 | 0.63 | TRPA1 (0.43) | TRPA1TRPV4 | |
| SCHEMBL2475791 | 0.62 | PORCN (0.32) | TRPA1PKM | |
| SCHEMBL5585939 | 0.61 | ALDH1A1 (0.43) | NPC1 | |
| SCHEMBL4562114 | 0.61 | PORCN (0.44) | — | |
| SCHEMBL665545 | 0.60 | ALOX5 (0.47) | NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011114184-A1 | AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-22 | — | — | WO | claimed |
| WO-2011114184-A1 | AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-22 | — | — | WO | disclosed |