Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9122677 | 0.71 | ADORA2B (0.55) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL18127922 | 0.71 | ADORA2B (0.55) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL7112265 | 0.70 | ADORA2B (0.54) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11029795 | 0.69 | ADORA2B (0.46) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10856290 | 0.67 | ADORA2B (0.61) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL27473174 | 0.66 | ADORA2B (0.43) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL3435824 | 0.65 | ADORA2B (0.80) | ADORA2BADORA2AADORA3ADORA1CYP3A4 | |
| SCHEMBL4953015 | 0.65 | ADORA2B (0.52) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10857602 | 0.65 | PDE1A (0.66) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL10629155 | 0.65 | ADORA1 (0.67) | ADORA2BADORA2AADORA3ADORA1CYP3A4 |
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-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | claimed |