Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | PLA2G4A | P47712 | 3/20 | 0.34 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20995405 | 1.00 | FDPS (0.41) | FDPSCTSKOPRM1ACE2PLA2G4A | |
| SCHEMBL21540053 | 0.86 | FDPS (0.46) | FDPSCTSKHSPA5SLC6A3 | |
| SCHEMBL21186361 | 0.83 | FDPS (0.41) | FDPSCTSKPLA2G4AHSPA5SLC6A3 | |
| SCHEMBL28427976 | 0.81 | FDPS (0.40) | FDPSCTSKSLC6A3L3MBTL1HRH2 | |
| SCHEMBL10141907 | 0.79 | FDPS (0.49) | FDPSCTSKHSPA5SLC6A3TLR7 | |
| SCHEMBL3309122 | 0.75 | PLA2G4A (0.43) | FDPSPLA2G4AL3MBTL1HRH2HRH1 | |
| SCHEMBL4586393 | 0.75 | PLA2G4A (0.43) | FDPSPLA2G4AL3MBTL1HRH2HRH1 | |
| SCHEMBL4584723 | 0.75 | PLA2G4A (0.43) | FDPSPLA2G4AL3MBTL1HRH2HRH1 | |
| SCHEMBL10577019 | 0.75 | PLA2G4A (0.43) | FDPSPLA2G4AL3MBTL1HRH2HRH1 | |
| SCHEMBL16411223 | 0.75 | FDPS (0.42) | FDPSCTSKHSPA5SLC6A3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |