Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16046188 | 0.89 | CYP3A4 (0.46) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL16047729 | 0.85 | ADORA2B (0.42) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL19913007 | 0.81 | CYP3A4 (0.61) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL11001667 | 0.80 | CYP3A4 (0.55) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL16046844 | 0.77 | CYP3A4 (0.43) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL16046697 | 0.75 | ADORA2B (0.45) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL22899035 | 0.75 | PDE4A (0.56) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL16047961 | 0.75 | ADORA2B (0.45) | PDE4AADORA2AADORA2BPDE4BPDE4C | |
| SCHEMBL24404224 | 0.74 | — | — | |
| SCHEMBL16046791 | 0.73 | TSHR (0.41) | PDE4AADORA2AADORA2BPDE4BPDE4C |
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-3780226-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY | Mitsubishi Chemical Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |