Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | SLC29A1 | Q99808 | 5/20 | 0.42 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | PGK2 | P07205 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979046 | 0.88 | ADORA2A (0.48) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL13467907 | 0.82 | ADORA2A (0.55) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL15763428 | 0.82 | ADORA2A (0.55) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL15888819 | 0.81 | ADORA2A (0.53) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12219172 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL15628197 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12194676 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14762374 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL19493379 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL721333 | 0.81 | ADORA2A (0.66) | CYP2C19ADORA2AADORA2BADORA3ADORA1 |
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 |