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 | 4/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CPB1 | P15086 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 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 SCHEMBL8952272 | 0.94 | HCAR2 (0.63) | HCAR2NFE2L2KEAP1KDM4ETSHR | |
| SCHEMBL33410 | 0.84 | TSHR (0.59) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| SCHEMBL707103 | 0.84 | TSHR (0.59) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| SCHEMBL6365923 | 0.84 | TSHR (0.59) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| Dimethyl Fumarate SCHEMBL28080951 | 0.83 | HCAR2 (0.54) | HCAR2NFE2L2KEAP1KDM4ETSHR | |
| SCHEMBL11743391 | 0.82 | TSHR (0.56) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| Ammonia Solution, Strong SCHEMBL28249079 | 0.82 | TSHR (0.56) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| SCHEMBL7076812 | 0.82 | TSHR (0.56) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| Hydrochloric Acid SCHEMBL28241597 | 0.80 | TSHR (0.54) | KDM4ETSHRALDH1A1GRIK1GRIK2 | |
| SCHEMBL30722024 | 0.78 | TSHR (0.60) | HCAR2NFE2L2KEAP1KDM4ETSHR |
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 |