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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCZ | Q05513 | 1/20 | 0.47 |
| ▸ | CCNC | P24863 | 10/20 | 0.45 |
| ▸ | CDK8 | P49336 | 10/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28077291 | 0.90 | PRKCZ (0.57) | PRKCZF10CYP3A4 | |
| Fumaric Acid SCHEMBL28077347 | 0.80 | CCNC (0.41) | CCNCCDK8CYP3A4MAPK14 | |
| SCHEMBL11882155 | 0.71 | AKT1 (0.44) | — | |
| SCHEMBL2887108 | 0.69 | PRKCZ (0.64) | PRKCZCYP3A4ARLCKCSF1R | |
| Hydrochloric Acid SCHEMBL2891147 | 0.68 | PRKCZ (0.62) | PRKCZCYP3A4ARLCKCSF1R | |
| SCHEMBL671916 | 0.68 | CA1 (0.50) | F10CYP3A4 | |
| SCHEMBL8012548 | 0.68 | CA1 (0.51) | F10 | |
| SCHEMBL7698483 | 0.67 | KDM4E (0.56) | ARLCK | |
| SCHEMBL28077283 | 0.67 | ALDH1A1 (0.45) | CCNCCDK8MAPK14 | |
| SCHEMBL30279711 | 0.66 | PRKCZ (0.71) | PRKCZCYP3A4KDR |
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-105764510-A | An H3 receptor antagonist combined with a cholinesterase inhibitor for use in the treatment of alzheimer's disease | 赛诺菲 | 2016-07-13 | — | — | CN | disclosed |