Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | PI4KA | P42356 | 1/20 | 0.62 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.62 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.62 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.62 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.58 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL31060284 | 1.00 | ADORA2A (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL31061437 | 0.91 | SLC29A1 (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL31060261 | 0.91 | ADORA2A (0.55) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6659707 | 0.91 | ADORA2A (0.55) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6666118 | 0.91 | SLC29A1 (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6660729 | 0.84 | SLC29A1 (0.59) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2980291 | 0.78 | ADORA2A (0.70) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL30984022 | 0.78 | ADORA2A (0.70) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6661513 | 0.77 | SLC29A1 (0.49) | ADORA2ASLC29A1CYP1A2HPGDALDH1A1 | |
| SCHEMBL2979897 | 0.77 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB |
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 |