Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 2/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663728 | 0.89 | ADORA3 (0.48) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6661208 | 0.85 | MAPK13 (0.50) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6660434 | 0.84 | ADORA3 (0.55) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6660416 | 0.83 | PTGS2 (0.46) | ADORA3ADORA1ADORA2AKCNH2 | |
| SCHEMBL6662360 | 0.76 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6660016 | 0.75 | ADORA3 (0.62) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6660810 | 0.75 | ADORA3 (0.52) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6667230 | 0.72 | ADORA3 (0.48) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL4066247 | 0.70 | ADORA3 (0.57) | ADORA3ADORA1ADORA2AADORA2BPI4KA | |
| SCHEMBL6663342 | 0.68 | ADORA1 (0.45) | ADORA1ADORA2AMAPK14CYP1A2CYP3A4 |
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-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |