Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21705945 | 0.87 | GAA (0.36) | GAAPIK3CAKCNH2PDE4APDE4B | |
| SCHEMBL17776991 | 0.86 | KDM4E (0.40) | GAAAAK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18358104 | 0.82 | LMNA (0.44) | KCNH2PDE4BPDE4CPDE4DAAK1 | |
| SCHEMBL21400936 | 0.77 | CHRNB2 (0.38) | GAAKCNH2KDM5AKDM4CCYP1A2 | |
| SCHEMBL7215762 | 0.77 | L3MBTL1 (0.37) | GAAKDM5AKDM4CCYP1A2CYP3A4 | |
| SCHEMBL15046199 | 0.77 | GAA (0.44) | GAAPIK3CAAAK1CYP1A2CYP3A4 | |
| SCHEMBL25117929 | 0.75 | LMNA (0.42) | GAAPIK3CAKCNH2CYP2C9HPGD | |
| SCHEMBL21412856 | 0.75 | GAA (0.40) | GAAPIK3CA | |
| SCHEMBL20670341 | 0.75 | GAA (0.40) | GAAPIK3CAAAK1HPGDPIK3CD | |
| SCHEMBL18839637 | 0.75 | KDM4E (0.49) | GAAPIK3CAAAK1HPGDKDM4E |
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-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |