Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monomethyl 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 | 0.62 |
| ▸ | HCAR2 | Q8TDS4 | 10/20 | 0.81 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.43 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
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 SCHEMBL28412434 | 0.91 | HCAR2 (0.81) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Monomethyl Fumarate SCHEMBL5607806 | 0.90 | HCAR2 (0.90) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Monomethyl Fumarate SCHEMBL5607800 | 0.90 | HCAR2 (0.90) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Dimethyl Maleate SCHEMBL6896824 | 0.90 | HCAR2 (1.00) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Dimethyl Fumarate SCHEMBL15573962 | 0.90 | HCAR2 (1.00) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Monomethyl Fumarate SCHEMBL25280962 | 0.90 | HCAR2 (1.00) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Monomethyl Fumarate SCHEMBL60132 | 0.90 | — | — | |
| Monomethyl Fumarate SCHEMBL126468 | 0.90 | — | — | |
| Dimethyl Fumarate SCHEMBL15573963 | 0.90 | HCAR2 (1.00) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Monomethyl Fumarate SCHEMBL60133 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020154349-A1 | METHODS AND FORMULATIONS FOR PREVENTING DOWNWARD MIGRATION OF AGRICULTURAL MATERIALS | BAYER CROPSCIENCE LP (US) | 2020-07-30 | — | — | WO | disclosed |