Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 14/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL270942 | 0.84 | HCRTR1 (0.51) | PTGS2HCRTR1HCRTR2ALOX5 | |
| SCHEMBL27854218 | 0.82 | HCRTR1 (0.52) | PTGS2HCRTR1HCRTR2PDPK1 | |
| SCHEMBL20780900 | 0.81 | ALOX5 (0.41) | PTGS2HCRTR1HCRTR2ALOX5 | |
| SCHEMBL20780957 | 0.79 | HCRTR1 (0.41) | PTGS2HCRTR1HCRTR2ALOX5 | |
| SCHEMBL1257080 | 0.79 | HCRTR1 (0.50) | PTGS2HCRTR1HCRTR2PDPK1 | |
| SCHEMBL271104 | 0.77 | KDM4E (0.53) | PTGS2HCRTR1HCRTR2 | |
| SCHEMBL14705611 | 0.76 | KDM4E (0.45) | PTGS2 | |
| SCHEMBL320589 | 0.75 | PTGS2 (0.54) | PTGS2HCRTR1HCRTR2ALOX5PDPK1 | |
| SCHEMBL21615547 | 0.73 | PTGS2 (0.51) | PTGS2HCRTR1HCRTR2ALOX5PDPK1 | |
| SCHEMBL28786381 | 0.71 | KDM4E (0.49) | PTGS2HCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019043407-A1 | SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | CHRONOS THERAPEUTICS LIMITED (GB) | 2019-03-07 | — | — | WO | disclosed |