Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | MAOB | P27338 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543138 | 1.00 | ADORA2A (0.78) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7722473 | 0.91 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7722469 | 0.91 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7543438 | 0.89 | ADORA2A (0.61) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7543447 | 0.89 | ADORA2A (0.61) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7289463 | 0.87 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL30237461 | 0.87 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7544538 | 0.87 | ADORA2A (0.85) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7544542 | 0.87 | ADORA2A (0.85) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7289476 | 0.87 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 |
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-0698607-B1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO KK (JP) | 2002-05-29 | — | — | EP | disclosed |
| US-5703085-A | ADENOSINE RECEPTOR ANTAGONISTS FOR TREATMENT OF PARKINSON'S DISEASE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1997-12-30 | — | — | US | disclosed |
| EP-0698607-A1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1996-02-28 | — | — | EP | disclosed |