Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7292412 | 0.88 | ADORA2A (0.55) | ADORA2AADORA3ADORA2B | |
| SCHEMBL7314877 | 0.77 | ADORA2A (0.69) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7314887 | 0.77 | ADORA2A (0.69) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7305630 | 0.76 | ADORA2A (0.66) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7305619 | 0.76 | ADORA2A (0.66) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7305220 | 0.76 | ADORA2A (0.68) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7303427 | 0.76 | ADORA2A (0.70) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7312446 | 0.76 | ADORA2A (0.68) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7305214 | 0.76 | ADORA2A (0.68) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL7312458 | 0.76 | ADORA2A (0.68) | ADORA2AADORA1HTR1AADORA3CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5670498-A | ADENOSINE ANTAGONISTS, TREATMENT OF PARKINSON*S DISEASE, ALZHEIMER*S DISEASE, OSTEOPOROSIS, DEPRESSION, ASTHMA | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1997-09-23 | — | — | US | disclosed |
| EP-0607607-B1 | Xanthine derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-09-18 | — | — | EP | disclosed |
| EP-0607607-A1 | Xanthine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-07-27 | — | — | EP | disclosed |