Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 13/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.62 |
| ▸ | PI4KA | P42356 | 2/20 | 0.62 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.62 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.62 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.62 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6660434 | 0.91 | ADORA3 (0.55) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6660810 | 0.91 | ADORA3 (0.52) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6667230 | 0.87 | ADORA3 (0.48) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6663728 | 0.87 | ADORA3 (0.48) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6666272 | 0.82 | ADORA2A (0.51) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6661208 | 0.80 | MAPK13 (0.50) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL783764 | 0.77 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL8655787 | 0.77 | ADORA3 (0.68) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL4064829 | 0.77 | ADORA2A (1.00) | ADORA3ADORA2AADORA1ADORA2BPI4KA | |
| SCHEMBL6660416 | 0.75 | PTGS2 (0.46) | ADORA3ADORA2AADORA1 |
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 |