Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 7/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 6/20 | 0.42 |
| ▸ | P2RY11 | Q96G91 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | IARS1 | P41252 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19974415 | 0.91 | ADORA2A (0.47) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL19979254 | 0.84 | NT5E (0.39) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL22700389 | 0.84 | NT5E (0.38) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL19974410 | 0.82 | ADORA2A (0.64) | ADORA2ANT5EADORA3 | |
| SCHEMBL19974599 | 0.81 | ADORA1 (0.40) | ADORA2ANT5EADORA3 | |
| SCHEMBL22700416 | 0.80 | NT5E (0.45) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL19978965 | 0.79 | NT5E (0.44) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL19979257 | 0.76 | NT5E (0.49) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL19978958 | 0.75 | ADORA3 (0.40) | ADORA2ANT5EP2RY1P2RY11CA1 | |
| SCHEMBL22683313 | 0.72 | ADORA2A (0.48) | ADORA2AADORA3 |
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 3 patents. 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 |
| EP-3512860-A1 | 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) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018049534-A1 | 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) | 2018-03-22 | — | — | WO | disclosed |