Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 5/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20170880 | 0.89 | HCRTR1 (0.45) | HCRTR1HTR1A | |
| SCHEMBL10223933 | 0.82 | HCRTR1 (0.45) | HCRTR1HTR1A | |
| SCHEMBL20170738 | 0.81 | HTR1A (0.40) | HCRTR1HTR1AADRA1B | |
| SCHEMBL20170731 | 0.81 | HCRTR1 (0.43) | HCRTR1HTR1A | |
| SCHEMBL20170692 | 0.73 | HCRTR1 (0.36) | HCRTR1HTR1AADRA1A | |
| SCHEMBL20170822 | 0.71 | OPRM1 (0.51) | — | |
| SCHEMBL20170799 | 0.71 | HCRTR1 (0.47) | HCRTR1HTR1A | |
| SCHEMBL13072367 | 0.70 | OPRM1 (0.34) | HCRTR1 | |
| SCHEMBL20170820 | 0.68 | HCRTR1 (0.46) | HCRTR1 | |
| SCHEMBL20170646 | 0.66 | OPRM1 (0.42) | HTR1A |
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-2453895-B1 | (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF | MALLINCKRODT LLC (US) | 2018-05-23 | — | — | EP | disclosed |