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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Dimethyl Maleate SCHEMBL28279603 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HCAR2KEAP1NFE2L2TSHR | |
| Acrylonitrile SCHEMBL10915301 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1 | |
| Acrylonitrile SCHEMBL5382420 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1 | |
| Acrylonitrile SCHEMBL180070 | 0.91 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1 | |
| Acrylic Acid Methyl Ester SCHEMBL11575768 | 0.89 | ALDH1A1 (0.54) | ALDH1A1HCAR2KEAP1NFE2L2TSHR | |
| Acrylonitrile SCHEMBL28123871 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL28102940 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL1898906 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TSHR | |
| Dimethyl Fumarate SCHEMBL11571392 | 0.87 | NFE2L2 (0.62) | ALDH1A1HCAR2KEAP1NFE2L2TSHR | |
| Dimethyl Maleate SCHEMBL11571389 | 0.87 | NFE2L2 (0.62) | ALDH1A1HCAR2KEAP1NFE2L2TSHR |
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-105199042-A | Preparation method and application of thermoplastic acrylonitrile-based terpolymer | UNIV TIANJIN POLYTECHNIC | 2015-12-30 | — | — | CN | disclosed |