Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | NT5E | P21589 | 9/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 4/20 | 0.38 |
| ▸ | P2RY11 | Q96G91 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22700178 | 0.89 | NT5E (0.50) | ADORA3ADORA1ADORA2ANT5EP2RY1 | |
| SCHEMBL19979046 | 0.85 | ADORA2A (0.48) | ADORA3ADORA1ADORA2A | |
| SCHEMBL19974575 | 0.84 | ADORA2A (0.43) | ADORA3ADORA1ADORA2ANT5EP2RY1 | |
| SCHEMBL19979033 | 0.83 | NT5E (0.51) | ADORA3ADORA1ADORA2ANT5EP2RY1 | |
| SCHEMBL19979257 | 0.80 | NT5E (0.49) | ADORA3ADORA2ANT5EP2RY1P2RY11 | |
| SCHEMBL19978907 | 0.79 | ADORA1 (0.38) | ADORA3ADORA1ADORA2ANT5EP2RY1 | |
| SCHEMBL22700179 | 0.78 | NT5E (0.43) | ADORA3ADORA2ANT5EP2RY1P2RY11 | |
| SCHEMBL22700164 | 0.77 | PDE2A (0.52) | ADORA3NT5EP2RY1P2RY11 | |
| SCHEMBL19974599 | 0.75 | ADORA1 (0.40) | ADORA3ADORA1ADORA2ANT5E | |
| SCHEMBL19979159 | 0.74 | CYP2C19 (0.45) | ADORA3ADORA1ADORA2A |
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-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 |