Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA4 | P22748 | 6/20 | 0.45 |
| ▸ | CA7 | P43166 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL244417 | 1.00 | ADORA2A (0.45) | ADORA2ACA12CA1CA2CA4 | |
| SCHEMBL244416 | 1.00 | ADORA2A (0.45) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL240084 | 0.95 | CA12 (0.45) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL1840530 | 0.95 | CA12 (0.45) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL240085 | 0.95 | CA12 (0.45) | ADORA2ACA12CA1CA2CA4 | |
| SCHEMBL241463 | 0.94 | ADORA2A (0.46) | ADORA2ACA12CA1CA2CA4 | |
| SCHEMBL241464 | 0.94 | ADORA2A (0.46) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL292926 | 0.93 | ADORA2A (0.51) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL292925 | 0.93 | ADORA2A (0.51) | ADORA2ACA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL243015 | 0.93 | ADORA2A (0.51) | ADORA2ACA12CA1CA2CA4 |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| EP-2322525-A1 | Purine derivatives for use as adenosin A2A receptor agonists | Novartis AG (CH) | 2011-05-18 | — | — | EP | disclosed |