Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL2809155 | 0.94 | ADORA1 (0.70) | ADORA1ADORA3ADORA2AHTR2CADORA2B | |
| SCHEMBL2832621 | 0.94 | ADORA1 (0.70) | ADORA1ADORA3ADORA2AHTR2CADORA2B | |
| SCHEMBL3913337 | 0.94 | ADORA1 (0.70) | ADORA1ADORA3ADORA2AHTR2CADORA2B | |
| SCHEMBL4230273 | 0.94 | ADORA1 (0.70) | ADORA1ADORA3ADORA2AHTR2CADORA2B | |
| SCHEMBL2805070 | 0.84 | ADORA2A (0.54) | ADORA1ADORA3ADORA2AADORA2BNT5E | |
| Trifluoroacetic Acid SCHEMBL6839083 | 0.84 | ADORA1 (0.51) | ADORA1ADORA3ADORA2AHTR2CADORA2B | |
| SCHEMBL6838893 | 0.84 | ADORA1 (0.58) | ADORA1ADORA3ADORA2AADORA2BNT5E | |
| SCHEMBL6841625 | 0.84 | ADORA2A (0.56) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL6876893 | 0.84 | ADORA1 (0.56) | ADORA1ADORA3ADORA2AADORA2BNT5E | |
| SCHEMBL6573910 | 0.82 | ADORA1 (0.57) | ADORA1ADORA3ADORA2AADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044070-B1 | PURINE DERIVATIVES AS A2A AGONISTS | NOVARTIS AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| EP-1889846-A1 | Purine derivatives as A2a agonists | Novartis AG (CH) | 2008-02-20 | — | — | EP | disclosed |