Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimethyl Fumarate. 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 | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acrylic Acid Methyl Ester SCHEMBL28165425 | 0.84 | TSHR (0.37) | HCAR2KEAP1NFE2L2ALDH1A1TDP1 | |
| Dimethyl Fumarate SCHEMBL5077436 | 0.83 | HCAR2 (0.54) | HCAR2KEAP1NFE2L2GFPT1ALDH1A1 | |
| SCHEMBL2211475 | 0.82 | — | — | |
| SCHEMBL212348 | 0.82 | — | — | |
| SCHEMBL531623 | 0.82 | — | — | |
| Oxalic Acid SCHEMBL7517412 | 0.79 | GRIK1 (0.44) | ALDH1A1KDM4ETDP1GRIK1GRIK2 | |
| Monomethyl Fumarate SCHEMBL8952272 | 0.79 | HCAR2 (0.63) | HCAR2KEAP1NFE2L2GFPT1ALDH1A1 | |
| Fumaric Acid SCHEMBL8953208 | 0.78 | TSHR (0.45) | HCAR2ALDH1A1KDM4ETDP1GRIK1 | |
| Malonic Acid SCHEMBL3872388 | 0.78 | TSHR (0.46) | ALDH1A1KDM4ETDP1GRIK1GRIK2 | |
| Ethylene SCHEMBL27760241 | 0.77 | GRIK1 (0.43) | ALDH1A1KDM4ETDP1GRIK1GRIK2 |
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-105793324-A | Stabilizer for thiol-ene compositions | 湛新比利时股份有限公司 | 2016-07-20 | — | — | CN | disclosed |