Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.50 |
| ▸ | PDE4A | P27815 | 6/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | XDH | P47989 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9432920 | 0.81 | ADORA2A (0.49) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL5451521 | 0.79 | ADORA2B (0.68) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL2917584 | 0.76 | ADORA2B (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL12413533 | 0.74 | ADORA2B (0.63) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL10535015 | 0.73 | ADORA2A (0.57) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL150602 | 0.72 | ADORA2B (0.59) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL7326960 | 0.71 | ADORA2A (0.67) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL897035 | 0.71 | ADORA2B (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| 1-Methylxanthine SCHEMBL27663813 | 0.69 | ADORA2B (0.77) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL941656 | 0.69 | ADORA2B (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B |
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-0305743-A2 | Pharmaceutical mixture preparation, its manufacture and use | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-03-08 | — | — | EP | disclosed |