Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 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 |
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 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1GAAL3MBTL1KDM4EGLA | |
| SCHEMBL4665899 | 0.83 | CXCR4 (0.36) | ALDH1A1ATMCCR5ATP1A1ATP1B1 | |
| SCHEMBL4665489 | 0.79 | TRPA1 (0.38) | CCR5TRPA1HSD11B1 | |
| SCHEMBL4665533 | 0.78 | TRPA1 (0.38) | ALDH1A1CCR5ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL4663381 | 0.74 | SMN1; SMN2 (0.41) | STSALDH1A1GAAL3MBTL1KDM4E | |
| SCHEMBL29693296 | 0.68 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CCR5GRIN2BTRPA1 | |
| SCHEMBL4663389 | 0.68 | SMN1; SMN2 (0.39) | STSALDH1A1GAAL3MBTL1KDM4E | |
| SCHEMBL4663413 | 0.67 | CXCR4 (0.39) | ALDH1A1KDM4EMAPTSSTR1SSTR4 | |
| SCHEMBL4663543 | 0.67 | SMN1; SMN2 (0.56) | — | |
| SCHEMBL4663464 | 0.66 | OPRK1 (0.38) | STSALDH1A1TAAR1TRPA1 |
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 |