Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4665552 | 0.83 | STS (0.43) | ALDH1A1ATMATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4665489 | 0.79 | TRPA1 (0.38) | CCR5TRPA1OPRM1OPRL1SLC6A2 | |
| SCHEMBL4665533 | 0.78 | TRPA1 (0.38) | ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL4665942 | 0.75 | SMN1; SMN2 (0.38) | ALDH1A1ATMCCR5TRPA1OPRM1 | |
| SCHEMBL4665352 | 0.74 | OPRM1 (0.35) | CXCR4ALDH1A1ATMATP1A1ATP1B1 | |
| SCHEMBL29693296 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CCR5TRPA1MEN1KMT2A | |
| SCHEMBL4663615 | 0.67 | TRPA1 (0.35) | ALDH1A1ATMCCR3TRPA1OPRM1 | |
| SCHEMBL4664186 | 0.65 | CCR3 (0.43) | ALDH1A1CCR5CCR3OPRM1SLC6A2 | |
| SCHEMBL4667313 | 0.64 | TRPA1 (0.35) | TRPA1SLC6A4SLC6A3 | |
| SCHEMBL4663652 | 0.64 | SLC6A2 (0.34) | OPRM1CYP3A4CYP2D6SLC6A2SLC6A4 |
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 |