Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.53 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.53 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.53 |
| ▸ | AHCY | P23526 | 4/20 | 0.52 |
| ▸ | ADA | P00813 | 4/20 | 0.48 |
| ▸ | PDE2A | O00408 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13770668 | 0.90 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL23476211 | 0.83 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL13459005 | 0.83 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL12016780 | 0.83 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL22334151 | 0.81 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL13770243 | 0.81 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL22326782 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL23584292 | 0.81 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL12963376 | 0.81 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL21999055 | 0.80 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BPI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022035917-A1 | SYNTHESIS OF FLUORINATED NUCLEOTIDES | MERCK SHARP & DOHME CORP. (US) | 2022-02-17 | — | — | WO | disclosed |