Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3666639 | 0.82 | SLC2A1 (0.35) | — | |
| SCHEMBL3666516 | 0.81 | EPHX2 (0.41) | GAAPARP1EPHX2NFKB1NFKB2 | |
| SCHEMBL27821187 | 0.75 | CCNT1 (0.32) | — | |
| SCHEMBL16814171 | 0.74 | EPHX2 (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL31552625 | 0.73 | EPHX2 (0.46) | GAAPARP1EPHX2NFKB1NFKB2 | |
| SCHEMBL19961240 | 0.73 | CYP11B1 (0.41) | GAAPARP1NFKB1NFKB2RELA | |
| Acetic Acid SCHEMBL28780395 | 0.72 | GAA (0.40) | GAAPARP1EPHX2NFKB1NFKB2 | |
| SCHEMBL1932403 | 0.71 | EPHX2 (0.53) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL31730587 | 0.71 | AAK1 (0.39) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL803714 | 0.71 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA |
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-101952289-A | Fused pentacyclic derivatives for use in the treatment of flavivirus infections | GENELABS TECH INC | 2011-01-19 | — | — | CN | disclosed |