Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | LSS | P48449 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204860 | 1.00 | HTR2A (0.47) | HTR2AHTR2CLSSKCNH2CYP19A1 | |
| SCHEMBL7207309 | 0.99 | HTR2A (0.47) | HTR2AHTR2CLSSKCNH2CYP19A1 | |
| SCHEMBL7209122 | 0.99 | HTR2A (0.47) | HTR2AHTR2CLSSKCNH2CYP19A1 | |
| SCHEMBL4806400 | 0.89 | CA12 (0.41) | HTR2AHTR2CLSSKCNH2ALDH1A1 | |
| SCHEMBL4806405 | 0.89 | CA12 (0.41) | HTR2AHTR2CLSSKCNH2ALDH1A1 | |
| SCHEMBL4806143 | 0.88 | LSS (0.56) | HTR2AHTR2CLSSKCNH2ALDH1A1 | |
| SCHEMBL4806137 | 0.88 | LSS (0.56) | HTR2AHTR2CLSSKCNH2ALDH1A1 | |
| SCHEMBL7210657 | 0.87 | HTR2A (0.49) | HTR2AHTR2CLSSALDH1A1KMT2A | |
| SCHEMBL7210651 | 0.87 | HTR2A (0.49) | HTR2AHTR2CLSSALDH1A1KMT2A | |
| SCHEMBL7209344 | 0.87 | HTR2A (0.50) | HTR2AHTR2CLSSALDH1A1 |
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 |