Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 12/20 | 0.59 |
| ▸ | DRD3 | P35462 | 11/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3067565 | 0.86 | DRD2 (0.62) | DRD2DRD3HTR1AHTR2ADRD1 | |
| SCHEMBL3964818 | 0.86 | DRD2 (0.62) | DRD2DRD3HTR1AHTR2ADRD1 | |
| SCHEMBL14715740 | 0.85 | DRD2 (0.47) | DRD2DRD3HTR1AHTR2ADRD1 | |
| SCHEMBL3086254 | 0.85 | DRD2 (0.46) | DRD2DRD3HTR1AHTR2ADRD1 | |
| SCHEMBL3967377 | 0.85 | DRD2 (0.46) | DRD2DRD3HTR1AHTR2ADRD1 | |
| SCHEMBL14715703 | 0.80 | HRH1 (0.50) | DRD2HRH1KCNH2 | |
| SCHEMBL14715736 | 0.80 | HRH1 (0.50) | DRD2HRH1KCNH2 | |
| SCHEMBL3086106 | 0.77 | DRD2 (0.46) | DRD2HTR2CHTR2BHRH1KCNH2 | |
| SCHEMBL3086108 | 0.77 | DRD2 (0.46) | DRD2HTR2CHTR2BHRH1KCNH2 | |
| SCHEMBL3093392 | 0.77 | DRD2 (0.39) | DRD2DRD3HTR1AHTR2A |
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 | disclosed |