Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 14/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5385793 | 0.80 | ADORA3 (0.73) | ADORA3ADORA1ADORA2A | |
| SCHEMBL5435971 | 0.79 | ADORA3 (0.68) | ADORA3ADORA1ADORA2AADORA2BHTR2A | |
| SCHEMBL6268756 | 0.79 | ADORA3 (0.68) | ADORA3ADORA1ADORA2AADORA2BHTR2A | |
| SCHEMBL5040344 | 0.78 | ADORA3 (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL5034054 | 0.78 | ADORA3 (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL5035415 | 0.78 | ADORA3 (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL723276 | 0.78 | ADORA2A (0.56) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL5386813 | 0.78 | ADORA3 (0.58) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL5034543 | 0.77 | ADORA1 (0.58) | ADORA3ADORA1ADORA2AADORA2BCYP1A2 | |
| SCHEMBL5034068 | 0.77 | ADORA3 (0.59) | ADORA3ADORA1ADORA2AADORA2BCYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414837-A1 | ADENOSINE A3 RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2004-05-06 | — | — | EP | claimed |
| WO-2003014137-A1 | ADENOSINE A3 RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2003-02-20 | — | — | WO | claimed |
| EP-1414837-A1 | ADENOSINE A3 RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003014137-A1 | ADENOSINE A3 RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2003-02-20 | — | — | WO | disclosed |