Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CHIT1 | Q13231 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | CHIA | Q9BZP6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4667285 | 0.81 | TRPA1 (0.35) | TRPA1CHIT1KCNH2 | |
| SCHEMBL4667249 | 0.78 | TRPA1 (0.38) | TRPA1CHIT1KCNH2 | |
| SCHEMBL4667313 | 0.76 | TRPA1 (0.35) | TRPA1CHIT1KCNH2SLC6A3SLC6A4 | |
| Methyl Alcohol SCHEMBL8945244 | 0.65 | TRPA1 (0.48) | TRPA1CHIT1KCNH2SLC6A3SLC6A4 | |
| Methyl Alcohol SCHEMBL8945235 | 0.65 | TRPA1 (0.48) | TRPA1CHIT1KCNH2SLC6A3SLC6A4 | |
| Methyl Alcohol SCHEMBL8945240 | 0.65 | TRPA1 (0.48) | TRPA1CHIT1KCNH2SLC6A3SLC6A4 | |
| SCHEMBL28797063 | 0.63 | TRPA1 (0.40) | TRPA1 | |
| SCHEMBL30879620 | 0.61 | TRPA1 (0.41) | TRPA1CHIT1 | |
| SCHEMBL17993988 | 0.61 | TRPA1 (0.36) | TRPA1CHIT1KCNH2DPP4 | |
| SCHEMBL4665942 | 0.61 | SMN1; SMN2 (0.38) | TRPA1SLC6A3SLC6A2CHRNA1CHRNG |
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 |