Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | PNP | P00491 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19978958 | 0.84 | ADORA3 (0.40) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL22700389 | 0.83 | NT5E (0.38) | ADORA2AADORA3 | |
| SCHEMBL19974410 | 0.80 | ADORA2A (0.64) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL19978960 | 0.78 | ADORA2A (0.55) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL19979254 | 0.73 | NT5E (0.39) | ADORA2AADORA3 | |
| SCHEMBL6538264 | 0.72 | ADORA2A (0.57) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL18739939 | 0.69 | PDE4D (0.53) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL22683313 | 0.68 | ADORA2A (0.48) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL572470 | 0.68 | PI4KA (0.72) | ADORA2APDE4DPDE3APNPLMNA | |
| SCHEMBL14075797 | 0.68 | PI4KA (0.72) | ADORA2APDE4DPDE3APNPLMNA |
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-3512860-B1 | NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT | LCB PHARMA INC (CA) | 2020-11-25 | — | — | EP | disclosed |