Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 9/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 2/20 | 0.33 |
| ▸ | MC3R | P41968 | 2/20 | 0.33 |
| ▸ | MC1R | Q01726 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9046302 | 1.00 | CHEK1 (0.38) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| Fumaric Acid SCHEMBL9047836 | 1.00 | CHEK1 (0.38) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| Fumaric Acid SCHEMBL9046272 | 1.00 | CHEK1 (0.38) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| Fumaric Acid SCHEMBL9046286 | 1.00 | CHEK1 (0.38) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| SCHEMBL9045822 | 0.91 | CHEK1 (0.45) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| SCHEMBL9047264 | 0.91 | CHEK1 (0.45) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| SCHEMBL9045815 | 0.91 | CHEK1 (0.45) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| SCHEMBL9045403 | 0.91 | CHEK1 (0.45) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| Fumaric Acid SCHEMBL9050482 | 0.83 | CHEK1 (0.39) | CHEK1DAPK3LTKMAPK8CSNK1A1 | |
| Fumaric Acid SCHEMBL9050474 | 0.83 | CHEK1 (0.39) | CHEK1DAPK3LTKMAPK8CSNK1A1 |
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-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |