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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28077283 | 0.90 | ALDH1A1 (0.45) | CCNCCDK8ALDH1A1CASP1KDM4E | |
| Fumaric Acid SCHEMBL28077289 | 0.80 | PRKCZ (0.47) | CCNCCDK8MAPK14CYP3A4 | |
| SCHEMBL28168756 | 0.69 | CA1 (0.60) | ALDH1A1CASP1KDM4ETP53HSP90AA1 | |
| SCHEMBL9376383 | 0.68 | KDM1A (0.42) | ALDH1A1TP53TSHRHTTSMN1; SMN2 | |
| Formic Acid SCHEMBL30945585 | 0.68 | ALDH1A1 (0.58) | ALDH1A1CASP1KDM4ETP53HSP90AA1 | |
| SCHEMBL31281565 | 0.68 | CCNC (0.76) | CCNCCDK8 | |
| SCHEMBL28646440 | 0.68 | CCNC (0.76) | CCNCCDK8 | |
| SCHEMBL30687380 | 0.67 | NPC1 (0.46) | ALDH1A1TP53TSHRHTTSMN1; SMN2 | |
| SCHEMBL28084480 | 0.67 | ALDH1A1 (0.56) | ALDH1A1CASP1KDM4ETP53HSP90AA1 | |
| SCHEMBL8023017 | 0.67 | NPC1 (0.46) | ALDH1A1TP53TSHRHTTSMN1; SMN2 |
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 |