Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.53 |
| ▸ | HTR2C | P28335 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LSS | P48449 | 6/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7208921 | 1.00 | HTR2A (0.53) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7209344 | 0.89 | HTR2A (0.50) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7209342 | 0.89 | HTR2A (0.50) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7210657 | 0.89 | HTR2A (0.49) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7210651 | 0.89 | HTR2A (0.49) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7209029 | 0.89 | HTR2A (0.48) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7209032 | 0.89 | HTR2A (0.48) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7205786 | 0.88 | HTR2A (0.51) | HTR2AHTR2CALDH1A1GAAL3MBTL1 | |
| SCHEMBL7208527 | 0.88 | HTR2A (0.51) | HTR2AHTR2CL3MBTL1LSSCNR2 | |
| SCHEMBL7210826 | 0.88 | HTR2A (0.50) | HTR2AHTR2CALDH1A1GAAL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |