Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | LCLAT1 | Q6UWP7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4416877 | 0.92 | PDE4B (0.47) | HCRTR1HCRTR2PDE4DPDE4APDE4B | |
| SCHEMBL4273698 | 0.85 | PDE4B (0.44) | HCRTR1HCRTR2PDE4DPDE4APDE4B | |
| SCHEMBL4271738 | 0.85 | PDE4B (0.47) | PDE4DPDE4APDE4BPDE4CADORA2A | |
| SCHEMBL4275019 | 0.83 | PDE4A (0.43) | PDE4DPDE4APDE4BPDE4CGRM4 | |
| SCHEMBL4279514 | 0.81 | PDE4B (0.42) | PDE4DPDE4APDE4BPDE4CADORA2A | |
| SCHEMBL4284444 | 0.81 | PDE4B (0.43) | HCRTR1HCRTR2PDE4DPDE4APDE4B | |
| SCHEMBL4278639 | 0.80 | PDE4B (0.48) | PDE4DPDE4APDE4BPDE4CLCLAT1 | |
| SCHEMBL4285870 | 0.80 | PDE4A (0.43) | PDE4DPDE4APDE4BPDE4CADORA2A | |
| SCHEMBL4280788 | 0.78 | PDE4B (0.47) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4278905 | 0.78 | PDE4D (0.44) | PDE4DPDE4APDE4BPDE4C |
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-1954684-B1 | OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMA CO LTD (JP) | 2014-05-07 | — | — | EP | disclosed |