Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 6/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.50 |
| ▸ | P2RY1 | P47900 | 6/20 | 0.49 |
| ▸ | P2RY11 | Q96G91 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | PNP | P00491 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979033 | 0.92 | NT5E (0.51) | NT5EADORA3P2RY1P2RY11CA1 | |
| SCHEMBL19979257 | 0.91 | NT5E (0.49) | NT5EADORA3P2RY1P2RY11CA1 | |
| SCHEMBL19978906 | 0.89 | ADORA3 (0.42) | NT5EADORA3P2RY1P2RY11ADORA2A | |
| SCHEMBL22700179 | 0.88 | NT5E (0.43) | NT5EADORA3P2RY1P2RY11CA1 | |
| SCHEMBL22700164 | 0.86 | PDE2A (0.52) | NT5EADORA3P2RY1P2RY11 | |
| SCHEMBL19979029 | 0.84 | ADORA2A (0.57) | NT5EADORA3P2RY1P2RY11CA1 | |
| SCHEMBL19974418 | 0.84 | ADORA2A (0.57) | NT5EADORA3P2RY1P2RY11CA1 | |
| SCHEMBL22700160 | 0.83 | ADORA2A (0.63) | NT5EADORA3CA1CA2CA4 | |
| SCHEMBL22700177 | 0.80 | NT5E (0.39) | NT5EADORA3P2RY1P2RY11 | |
| SCHEMBL19978965 | 0.79 | NT5E (0.44) | NT5EADORA3P2RY1P2RY11CA1 |
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 |