Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.62 |
| ▸ | APP | P05067 | 3/20 | 0.62 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | DRD2 | P14416 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.62 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL20536652 | 0.90 | CYP2D6 (0.77) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL18500835 | 0.87 | CYP2D6 (0.82) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL13583100 | 0.82 | CYP2D6 (0.82) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL15894079 | 0.80 | CYP2D6 (0.78) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL20536220 | 0.77 | CYP2D6 (0.77) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL20536597 | 0.77 | CYP2D6 (0.77) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| Amodiaquine SCHEMBL44152 | 0.77 | CYP2D6 (1.00) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| Amodiaquine SCHEMBL29441086 | 0.77 | CYP2D6 (1.00) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| Amodiaquine SCHEMBL29425350 | 0.77 | CYP2D6 (1.00) | CYP2D6CYP1A2KCNH2APPNR4A2 | |
| SCHEMBL25015374 | 0.77 | CYP2D6 (0.73) | CYP2D6CYP1A2KCNH2APPNR4A2 |
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-3572081-B1 | ANTIVIRAL DRUG FOR SEVERE FEVER WITH THROMBOCYTOPENIA SYNDROME | UNIV KAGOSHIMA (JP) | 2021-10-20 | — | — | EP | disclosed |