Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL4663574 | 0.78 | TRPA1 (0.40) | TRPA1CHIT1KCNH2 | |
| SCHEMBL4667285 | 0.75 | TRPA1 (0.35) | TRPA1CHIT1KCNH2CCR5 | |
| SCHEMBL4667313 | 0.75 | TRPA1 (0.35) | TRPA1CHIT1KCNH2 | |
| Methyl Alcohol SCHEMBL8945235 | 0.66 | TRPA1 (0.48) | TRPA1CHIT1KCNH2HSD11B1CCR5 | |
| Methyl Alcohol SCHEMBL8945244 | 0.66 | TRPA1 (0.48) | TRPA1CHIT1KCNH2HSD11B1CCR5 | |
| Methyl Alcohol SCHEMBL8945240 | 0.66 | TRPA1 (0.48) | TRPA1CHIT1KCNH2HSD11B1CCR5 | |
| SCHEMBL28797063 | 0.64 | TRPA1 (0.40) | TRPA1HSD11B1CCR5 | |
| SCHEMBL4667248 | 0.63 | TRPA1 (0.36) | TRPA1CCR5 | |
| SCHEMBL30879620 | 0.62 | TRPA1 (0.41) | TRPA1CHIT1CCR5 | |
| SCHEMBL10331964 | 0.60 | TRPA1 (0.42) | TRPA1CHIT1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1571140-B1 | C-substituted cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2008-11-12 | — | — | EP | claimed |