Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226020 | 0.94 | ADORA3 (0.68) | ADORA2AADORA3ADORA2BALDH1A1PKM | |
| SCHEMBL13339760 | 0.85 | ADORA3 (0.55) | ADORA2AADORA3ADORA2BALDH1A1PKM | |
| SCHEMBL946969 | 0.83 | ADORA1 (0.65) | ADORA2AADORA3ADORA2BALDH1A1PKM | |
| SCHEMBL13914389 | 0.80 | ADORA2A (0.73) | ADORA2AADORA3ADORA2BALDH1A1ADORA1 | |
| SCHEMBL13913514 | 0.76 | ADORA1 (0.73) | ADORA2AADORA3ADORA2BALDH1A1ADORA1 | |
| SCHEMBL13914393 | 0.75 | ADORA2B (0.74) | ADORA2AADORA3ADORA2BALDH1A1ADORA1 | |
| SCHEMBL13914390 | 0.75 | ADORA2B (0.77) | ADORA2AADORA3ADORA2BADORA1PDE5A | |
| SCHEMBL4321220 | 0.75 | ADORA2B (1.00) | ADORA2AADORA3ADORA2BALDH1A1ADORA1 | |
| SCHEMBL3556602 | 0.75 | ADORA2B (0.68) | ADORA2AADORA3ADORA2BALDH1A1ADORA1 | |
| SCHEMBL14464876 | 0.74 | ALDH1A1 (0.63) | ADORA2AADORA3ADORA2BALDH1A1PKM |
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-1740574-B1 | 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2007-06-27 | — | — | EP | disclosed |