Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 10/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 8/20 | 0.36 |
| ▸ | DRD3 | P35462 | 8/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4074112 | 0.87 | OPRK1 (0.39) | OPRK1DRD2HRH2HTR2ADRD3 | |
| SCHEMBL4076664 | 0.85 | OPRL1 (0.42) | HRH2 | |
| SCHEMBL3966400 | 0.85 | NAMPT (0.44) | OPRK1DRD2HTR2ADRD3NAMPT | |
| SCHEMBL4065216 | 0.83 | HRH1 (0.39) | OPRK1DRD2HRH2HTR2ADRD3 | |
| SCHEMBL3959812 | 0.81 | HRH1 (0.39) | OPRK1HTR2ADRD3NAMPT | |
| SCHEMBL14715671 | 0.81 | HRH1 (0.39) | OPRK1HTR2ADRD3NAMPT | |
| SCHEMBL3959671 | 0.81 | HTR2A (0.40) | OPRK1HTR2ADRD3NAMPT | |
| SCHEMBL230199 | 0.79 | HSD11B1 (0.41) | DRD2HTR6HTR2ADRD3HTR1D | |
| SCHEMBL3087227 | 0.77 | DRD2 (0.39) | DRD2HTR2ADRD3NAMPT | |
| SCHEMBL3963647 | 0.77 | DRD2 (0.39) | DRD2HTR2ADRD3NAMPT |
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 4 patents. 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 |
| EP-2079693-A1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. Hoffmann-Roche AG (CH) | 2009-07-22 | — | — | EP | claimed |
| WO-2008052899-A1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-08 | — | — | WO | claimed |
| EP-2079693-B1 | ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |