Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.65 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.63 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.60 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 6/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL384725 | 0.94 | APP (0.71) | APPNR4A2CYP4F2CYP4A11MAOB | |
| SCHEMBL29548398 | 0.94 | APP (0.71) | APPNR4A2CYP4F2CYP4A11MAOB | |
| Phenol SCHEMBL28049001 | 0.93 | APP (0.69) | APPNR4A2CYP4F2CYP4A11MAOB | |
| SCHEMBL6428535 | 0.88 | APP (0.63) | APPNR4A2CYP4F2CYP4A11MAOB | |
| SCHEMBL6910779 | 0.85 | FFAR1 (0.60) | APPNR4A2CYP4F2CYP4A11MAOB | |
| SCHEMBL27735405 | 0.83 | APP (0.77) | APPCYP4F2CYP4A11MAOBLMNA | |
| SCHEMBL13192629 | 0.83 | LMNA (0.62) | APPNR4A2CYP4F2CYP4A11MAOB | |
| SCHEMBL1268719 | 0.82 | MAOB (0.81) | NR4A2CYP4F2CYP4A11MAOBMAOA | |
| Benzylphenylether SCHEMBL28285060 | 0.82 | LMNA (0.65) | APPNR4A2MAOBMAOALMNA | |
| SCHEMBL28148861 | 0.82 | APP (0.70) | APPNR4A2CYP4F2CYP4A11MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109195608-A | Boron-containing small molecules | 比尔及梅琳达盖茨基金会 | 2019-01-11 | — | — | CN | disclosed |