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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 11/20 | 0.63 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 SCHEMBL11322974 | 1.00 | HCAR2 (0.63) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Fumaric Acid SCHEMBL28225492 | 0.88 | HCAR2 (0.52) | HCAR2ALDH1A1KDM4ETSHRTP53 | |
| Fumaric Acid SCHEMBL718708 | 0.88 | HCAR2 (0.52) | HCAR2ALDH1A1KDM4ETSHRTP53 | |
| Maleic Acid SCHEMBL5854822 | 0.88 | HCAR2 (0.52) | HCAR2ALDH1A1KDM4ETSHRTP53 | |
| Monomethyl Fumarate SCHEMBL3262884 | 0.82 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL9797085 | 0.82 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL7848423 | 0.80 | HCAR2 (0.74) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL6346060 | 0.80 | HCAR2 (0.74) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL11129720 | 0.80 | HCAR2 (0.81) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E | |
| Monomethyl Fumarate SCHEMBL28412434 | 0.80 | HCAR2 (0.81) | HCAR2KEAP1NFE2L2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4265778-A | FATTY ACID SALT, INTERPOLYMER OF A MALEIC ANHYDRIDE OR ACID AND A VINYL LACTAM OR VINYL ETHER OR ESTER | COLGATE-PALMOLIVE COMPANY (US) | 1981-05-05 | — | — | US | disclosed |