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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.55 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.42 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 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 SCHEMBL11316349 | 1.00 | HCAR2 (0.55) | HCAR2OR51E2CRBNFKBP5NFE2L2 | |
| Dimethyl Maleate SCHEMBL27705208 | 0.93 | OR51E2 (0.56) | HCAR2OR51E2CRBNFKBP5NFE2L2 | |
| Maleic Acid SCHEMBL1737647 | 0.86 | OR51E2 (0.65) | OR51E2CRBNFKBP5KDM4EMAPT | |
| Fumaric Acid SCHEMBL9716897 | 0.86 | OR51E2 (0.65) | OR51E2CRBNFKBP5KDM4EMAPT | |
| Fumaric Acid SCHEMBL9716900 | 0.86 | OR51E2 (0.65) | OR51E2CRBNFKBP5KDM4EMAPT | |
| Fumaric Acid SCHEMBL11241948 | 0.84 | OR51E2 (0.58) | OR51E2CRBNFKBP5ALDH1A1KDM4E | |
| Maleic Acid SCHEMBL11241940 | 0.84 | OR51E2 (0.58) | OR51E2CRBNFKBP5ALDH1A1KDM4E | |
| Acrylic Acid Methyl Ester SCHEMBL4203174 | 0.80 | OR51E2 (0.52) | HCAR2OR51E2CRBNFKBP5NFE2L2 | |
| 2-Pyrrolidone SCHEMBL28253020 | 0.77 | OR51E2 (0.62) | OR51E2CRBNFKBP5ALDH1A1KDM4E | |
| 2-Pyrrolidone SCHEMBL5282378 | 0.77 | OR51E2 (0.62) | OR51E2CRBNFKBP5ALDH1A1KDM4E |
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 |