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 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.59 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| Monomethyl Fumarate SCHEMBL8992230 | 0.92 | HCAR2 (0.65) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL502545 | 0.92 | HCAR2 (0.65) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL18492608 | 0.89 | HCAR2 (0.61) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL18492609 | 0.89 | HCAR2 (0.61) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| Acrylic Acid Methyl Ester SCHEMBL28463059 | 0.86 | HCAR2 (0.40) | NFE2L2HCAR2KEAP1ALDH1A1HSD17B10 | |
| Acrylic Acid Methyl Ester SCHEMBL1138061 | 0.86 | HCAR2 (0.40) | NFE2L2HCAR2KEAP1ALDH1A1HSD17B10 | |
| SCHEMBL867516 | 0.86 | NFE2L2 (0.65) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| SCHEMBL3463021 | 0.84 | NFE2L2 (0.62) | NFE2L2HCAR2KEAP1ALDH1A1KDM4E | |
| Methoxymethane SCHEMBL11296323 | 0.83 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL5605963 | 0.83 | HCAR2 (0.37) | NFE2L2HCAR2KEAP1ALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976934-A4 | RADIATION CURABLE SYSTEM | GARNETT JOHN LYNDON (AU) | 2009-05-13 | — | — | EP | disclosed |
| EP-1976934-A1 | RADIATION CURABLE SYSTEM | Garnett, John Lyndon (AU) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007079541-A1 | RADIATION CURABLE SYSTEM | GARNETT JOHN LYNDON (AU) | 2007-07-19 | — | — | WO | disclosed |