Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4665942 | 0.88 | SMN1; SMN2 (0.38) | TRPA1SLC6A4SLC6A3CCR5OPRM1 | |
| SCHEMBL4665489 | 0.83 | TRPA1 (0.38) | TRPA1SLC6A4SLC6A3CCR5OPRM1 | |
| SCHEMBL4665552 | 0.78 | STS (0.43) | TRPA1CCR5ALDH1A1ATP1A1ATP1B1 | |
| SCHEMBL4665899 | 0.78 | CXCR4 (0.36) | TRPA1SLC6A4SLC6A3CCR5OPRM1 | |
| SCHEMBL4664225 | 0.78 | OPRL1 (0.49) | TRPA1SLC6A4SLC6A3DRD2DRD4 | |
| SCHEMBL29693296 | 0.74 | ALDH1A1 (0.43) | TRPA1CCR5ALDH1A1P2RX7 | |
| SCHEMBL4665379 | 0.70 | OPRK1 (0.42) | SLC6A4SLC6A3OPRM1ALDH1A1SLC6A2 | |
| SCHEMBL4665371 | 0.67 | OPRK1 (0.39) | SLC6A4SLC6A3CCR5OPRM1ALDH1A1 | |
| SCHEMBL4663483 | 0.66 | DRD2 (0.41) | TRPA1SLC6A4SLC6A3DRD2DRD4 | |
| SCHEMBL4664046 | 0.65 | SMN1; SMN2 (0.48) | SLC6A4OPRM1ALDH1A1SLC6A2 |
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 |