Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.57 |
| ▸ | PDE4A | P27815 | 2/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269597 | 0.95 | ADORA2A (0.55) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL7267810 | 0.90 | ADORA2A (0.59) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL31228989 | 0.84 | ADORA2A (0.64) | ADORA2AADORA2BADORA1 | |
| SCHEMBL2294590 | 0.73 | ADORA2A (1.00) | ADORA2AADORA2BADORA1CYP1A2PMP22 | |
| SCHEMBL5935758 | 0.69 | ADORA2A (1.00) | ADORA2AADORA2BADORA1CYP1A2PMP22 | |
| SCHEMBL30082250 | 0.69 | ADORA2A (0.86) | ADORA2AADORA2B | |
| SCHEMBL5453936 | 0.69 | ADORA2A (1.00) | ADORA2AADORA2BADORA1CYP1A2PMP22 | |
| SCHEMBL7269624 | 0.68 | ADORA2A (0.88) | ADORA2AADORA2BADORA1CYP1A2PMP22 | |
| SCHEMBL7421455 | 0.66 | ADORA2A (0.66) | ADORA2AADORA2BADORA1CYP1A2PMP22 | |
| SCHEMBL7268807 | 0.65 | ADORA2A (0.61) | ADORA2AADORA2BPDE4APDE4BPDE4C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0386675-B1 | Xanthine derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-06-05 | — | — | EP | disclosed |
| US-5068236-A | Diuretics, renal protective agents and hypotensives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-11-26 | — | — | US | disclosed |
| EP-0386675-A2 | Xanthine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-09-12 | — | — | EP | disclosed |