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 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | 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 |
| ▸ | CA14 | Q9ULX7 | 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 SCHEMBL8952278 | 0.94 | HCAR2 (0.61) | HCAR2KEAP1NFE2L2ALOX15HSD17B10 | |
| SCHEMBL60440 | 0.87 | ALDH1A1 (0.48) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| Dimethyl Maleate SCHEMBL28166828 | 0.86 | ALOX15 (0.57) | HCAR2KEAP1NFE2L2ALOX15HSD17B10 | |
| Dimethyl Maleate SCHEMBL28846294 | 0.85 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2ALOX15HSD17B10 | |
| SCHEMBL11696832 | 0.85 | ALDH1A1 (0.46) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| SCHEMBL11694969 | 0.85 | ALDH1A1 (0.46) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| Ammonia Solution, Strong SCHEMBL27793329 | 0.85 | ALDH1A1 (0.46) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| Ethylene SCHEMBL27718140 | 0.85 | ALDH1A1 (0.46) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| Itaconate SCHEMBL10984219 | 0.81 | ALOX15 (0.56) | ALOX15HSD17B10ALDH1A1EGLN1LDHA | |
| Itaconate SCHEMBL28166830 | 0.81 | HCAR2 (0.63) | HCAR2KEAP1NFE2L2ALOX15HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180340059-A1 | Compositions and Heavy Layers Comprising the Same | EXXONMOBIL CHEMICAL PATENTS INC. | 2018-11-29 | — | — | US | disclosed |
| US-8241753-B2 | Composite thermoplastic elastomer structures with high adhesion performance and uses for the same | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2012-08-14 | — | — | US | disclosed |
| US-20080299397-A1 | Composite thermoplastic elastomer structures with high adhesion performance and uses for the same | CELANESE INTERNATIONAL CORPORATION | 2008-12-04 | — | — | US | disclosed |