Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.47 |
| ▸ | DRD3 | P35462 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3959816 | 0.88 | CACNA1I (0.42) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL14715704 | 0.88 | CACNA1I (0.42) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL3959405 | 0.88 | DRD2 (0.50) | DRD2DRD3ALDH1A1POLBHTR1A | |
| SCHEMBL14715706 | 0.88 | DRD2 (0.50) | DRD2DRD3ALDH1A1POLBHTR1A | |
| SCHEMBL14715741 | 0.85 | DRD2 (0.59) | DRD2DRD3HTR1ADRD1DRD4 | |
| SCHEMBL3965013 | 0.83 | CCR3 (0.54) | — | |
| SCHEMBL14715735 | 0.83 | CCR3 (0.54) | — | |
| SCHEMBL3956550 | 0.81 | HRH1 (0.47) | ALDH1A1 | |
| SCHEMBL14715670 | 0.81 | HRH1 (0.47) | ALDH1A1 | |
| SCHEMBL3959814 | 0.81 | OPRK1 (0.38) | ALDH1A1POLBOPRK1CACNA1INPSR1 |
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 |