Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 7/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | MTOR | P42345 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21974967 | 0.89 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DABCB1 | |
| SCHEMBL21975143 | 0.83 | MAPT (0.40) | PDE4APDE4BPDE4CPDE4DTGFBR1 | |
| SCHEMBL4574977 | 0.71 | MAPK1 (0.51) | PDE4APDE4BPDE4CPDE4DPRKCI | |
| SCHEMBL21975141 | 0.71 | MAPT (0.48) | PDE4APDE4BPDE4CPDE4DTGFBR1 | |
| SCHEMBL9881240 | 0.70 | MAPK1 (0.46) | PDE4APDE4BPDE4CPDE4DPRKCI | |
| SCHEMBL4574905 | 0.70 | MAPK1 (0.49) | PDE4APDE4BPDE4CPDE4DPRKCI | |
| SCHEMBL4573992 | 0.69 | MAPK1 (0.44) | PDE4APDE4BPDE4CPDE4DPRKCI | |
| SCHEMBL21974929 | 0.69 | ABCG2 (0.41) | ABCB1ABCG2MAPTCYP2C9CYP2C19 | |
| SCHEMBL4575171 | 0.69 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPRKCI | |
| SCHEMBL4575030 | 0.68 | KDM4E (0.44) | PDE4APDE4BPDE4CPDE4DPRKCI |
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-3647313-A1 | SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Xiamen University (CN) | 2020-05-06 | — | — | EP | disclosed |