Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14451450 | 0.81 | TRPA1 (0.52) | TRPA1GRIN2BEPHX2 | |
| Hydrochloric Acid SCHEMBL5523010 | 0.80 | TRPA1 (0.51) | TRPA1GRIN2BEPHX2 | |
| Hydrochloric Acid SCHEMBL5523013 | 0.80 | TRPA1 (0.51) | TRPA1GRIN2BEPHX2 | |
| Hydrochloric Acid SCHEMBL5523015 | 0.80 | TRPA1 (0.51) | TRPA1GRIN2BEPHX2 | |
| SCHEMBL5344908 | 0.73 | SLC6A4 (0.49) | SLC6A2SLC6A4OPRM1 | |
| SCHEMBL3634313 | 0.73 | EPHX2 (0.48) | TRPA1GRIN2BEPHX2 | |
| SCHEMBL4665406 | 0.72 | OPRD1 (0.42) | TRPA1SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL4663553 | 0.72 | TRPA1 (0.41) | TRPA1OPRM1EPHX2MAPK14TAAR1 | |
| SCHEMBL4664050 | 0.71 | TRPA1 (0.45) | TRPA1SLC6A2SLC6A4OPRM1EPHX2 | |
| SCHEMBL4663768 | 0.71 | TRPA1 (0.40) | TRPA1SLC6A2SLC6A4SLC6A3OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7273952-B2 | Substituted C-cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2007-09-25 | — | — | US | disclosed |