Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 2/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | FER | P16591 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MARK3 | P27448 | 1/20 | 0.37 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17900083 | 1.00 | GP6 (0.42) | GP6IDO1TTKNISCHAKT1 | |
| SCHEMBL518672 | 0.87 | ALOX15 (0.48) | IDO1TTKAKT1AKT2DCLK1 | |
| SCHEMBL26110065 | 0.81 | IDO1 (0.44) | IDO1ALDH1A1JAK2GFER | |
| SCHEMBL17895374 | 0.78 | GAA (0.50) | NISCHDYRK1ACLK4ALDH1A1NPC1 | |
| SCHEMBL29484271 | 0.78 | GAA (0.50) | NISCHDYRK1ACLK4ALDH1A1NPC1 | |
| SCHEMBL27790305 | 0.75 | GP6 (0.39) | GP6TTKNISCHAKT1AKT2 | |
| SCHEMBL27717172 | 0.75 | ACMSD (0.50) | KMOMAPK1 | |
| SCHEMBL4213892 | 0.74 | IDO1 (0.50) | IDO1ALDH1A1MAPTMEN1NPC1 | |
| SCHEMBL2122515 | 0.71 | CYP2A6 (0.48) | IDO1ALOX15ALDH1A1MAPTHPGD | |
| SCHEMBL3846701 | 0.71 | NOTUM (0.39) | AURKBALDH1A1MAPTMEN1NPC1 |
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 |