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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
| ▸ | MUS81 | Q96NY9 | 1/20 | 0.30 |
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 SCHEMBL27723233 | 0.92 | KCNA5 (0.35) | KCNA5 | |
| Fumaric Acid SCHEMBL27723321 | 0.84 | KCNA5 (0.34) | KCNA5 | |
| SCHEMBL27723301 | 0.84 | OPRD1 (0.35) | KCNA5 | |
| Hydrochloric Acid SCHEMBL27744063 | 0.83 | KCNA5 (0.34) | KCNA5 | |
| SCHEMBL27723316 | 0.81 | KCNA5 (0.32) | KCNA5 | |
| Fumaric Acid SCHEMBL27744191 | 0.80 | NAMPT (0.35) | — | |
| Fumaric Acid SCHEMBL27723435 | 0.78 | KCNA5 (0.33) | KCNA5 | |
| Fumaric Acid SCHEMBL27743975 | 0.75 | KCNA5 (0.34) | KCNA5 | |
| Fumaric Acid SCHEMBL1278476 | 0.74 | CHRNB2 (0.39) | — | |
| Fumaric Acid SCHEMBL1278470 | 0.74 | CHRNB2 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |