Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.30 |
| ▸ | PROKR1 | Q8TCW9 | 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 | |
|---|---|---|---|---|
| SCHEMBL4665614 | 0.77 | OPRM1 (0.35) | TRPA1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL4663768 | 0.65 | TRPA1 (0.40) | TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4667249 | 0.63 | TRPA1 (0.38) | TRPA1CCR5 | |
| SCHEMBL29693296 | 0.62 | ALDH1A1 (0.43) | TRPA1ALDH1A1CCR5FPR2PROKR1 | |
| SCHEMBL4663731 | 0.62 | OPRM1 (0.36) | TRPA1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL4665379 | 0.62 | OPRK1 (0.42) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL1119467 | 0.61 | ALDH1A1 (0.59) | SLC6A2SLC6A4ALDH1A1FPR2PROKR1 | |
| SCHEMBL4664004 | 0.60 | SLC6A4 (0.37) | TRPA1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL4663567 | 0.60 | SMN1; SMN2 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL4663513 | 0.60 | SLC6A4 (0.36) | TRPA1SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 |