Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19477799 | 0.81 | GAA (0.42) | GAACASRHSD11B1NFE2L2MAOA | |
| SCHEMBL4977051 | 0.78 | NFE2L2 (0.41) | GAACASRNFE2L2MAOAMAOB | |
| SCHEMBL20002023 | 0.77 | GAA (0.40) | GAACASRHSD11B1NFE2L2MAOA | |
| SCHEMBL255560 | 0.75 | GPR3 (0.52) | GAACASRHSD11B1MAOBMAPT | |
| SCHEMBL28993188 | 0.75 | GAA (0.36) | GAACASRHSD11B1NFE2L2MAOA | |
| SCHEMBL3160868 | 0.74 | NFE2L2 (0.39) | GAACASRNFE2L2MAOAMAOB | |
| SCHEMBL16886216 | 0.74 | GAA (0.38) | GAACASRHSD11B1NFE2L2MAOA | |
| SCHEMBL16585297 | 0.74 | PPARA (0.38) | GAACASRNFE2L2MAOBPPARA | |
| SCHEMBL22967387 | 0.73 | HSPB1 (0.48) | GAANFE2L2MAPTMEN1KMT2A | |
| SCHEMBL11177838 | 0.72 | GAA (0.44) | GAAMAOAMAOBMAPTMEN1 |
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-102264695-A | Haloalkyl containing compounds as cysteine protease inhibitors | — | 2011-11-30 | — | — | CN | disclosed |