Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.77 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4220368 | 1.00 | ADORA2A (0.77) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL2093019 | 1.00 | ADORA2A (0.77) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1401969 | 0.88 | ADORA2A (0.89) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL2089933 | 0.84 | ADORA3 (0.52) | ADORA2AADORA3ADORA1SMN1; SMN2 | |
| SCHEMBL239969 | 0.84 | ADORA3 (0.52) | ADORA2AADORA3ADORA1SMN1; SMN2 | |
| SCHEMBL592233 | 0.82 | ADORA2A (0.54) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL592232 | 0.81 | ADORA2A (0.55) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL1402078 | 0.78 | ADORA2A (0.51) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL2088729 | 0.78 | ADORA2A (0.51) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL1401963 | 0.77 | ADORA2A (0.59) | ADORA2AADORA3ADORA2BADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1805181-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-08-29 | — | — | EP | disclosed |