Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895374 | 1.00 | GAA (0.50) | GAADCUN1D1DYRK1ACLK4ADORA2A | |
| SCHEMBL28113638 | 0.81 | ADORA2A (0.50) | GAADCUN1D1DYRK1ACLK4ADORA2A | |
| SCHEMBL3850635 | 0.80 | MEN1 (0.51) | DYRK1AALDH1A1LMNAXDHADORA1 | |
| SCHEMBL29484273 | 0.78 | GP6 (0.42) | DYRK1ACLK4ALDH1A1NISCHNPC1 | |
| SCHEMBL3846446 | 0.75 | PDE4A (0.49) | GAAALDH1A1ADORA1TDP1CDK5 | |
| SCHEMBL518672 | 0.75 | ALOX15 (0.48) | GAADYRK1ACLK4NR1H2NR1H3 | |
| SCHEMBL8888676 | 0.73 | GAA (0.52) | GAADCUN1D1DYRK1ACLK4ADORA2A | |
| SCHEMBL4700185 | 0.72 | TDO2 (0.55) | DYRK1ACLK4ADORA2ANOTUMNR1H2 | |
| SCHEMBL196765 | 0.72 | CYP3A4 (0.73) | GAADYRK1ACLK4NOTUMALDH1A1 | |
| SCHEMBL29489425 | 0.72 | CYP3A4 (0.73) | GAADYRK1ACLK4NOTUMALDH1A1 |
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-107624112-B | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 美国政府健康及人类服务部 | 2022-03-04 | — | — | CN | disclosed |