Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | CCR3 | P51677 | 3/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GPR6 | P46095 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3963825 | 1.00 | HRH1 (0.46) | HRH1CCR3GRM2ALDH1A1SMN1; SMN2 | |
| SCHEMBL3964447 | 0.90 | GRM2 (0.44) | HRH1CCR3GRM2GRIN1GRIN2B | |
| SCHEMBL14715670 | 0.89 | HRH1 (0.47) | HRH1CCR3ALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL3956550 | 0.89 | HRH1 (0.47) | HRH1CCR3ALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL14715671 | 0.89 | HRH1 (0.39) | HRH1CCR3SMN1; SMN2KCNH2 | |
| SCHEMBL3959812 | 0.89 | HRH1 (0.39) | HRH1CCR3SMN1; SMN2KCNH2 | |
| SCHEMBL3959409 | 0.87 | GPR6 (0.44) | GPR6 | |
| SCHEMBL3079707 | 0.87 | HRH1 (0.44) | HRH1CCR3ALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL14715627 | 0.87 | HRH1 (0.44) | HRH1CCR3ALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL3959814 | 0.87 | OPRK1 (0.38) | HRH1CCR3ALDH1A1SMN1; SMN2 |
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-2079693-B1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |