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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GFPT1 | Q06210 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Methyl Ester SCHEMBL7026929 | 0.93 | HCAR2 (0.52) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Maleic Acid SCHEMBL4121144 | 0.89 | ATM (0.40) | HCAR2ATMPOLBHRH1SMN1; SMN2 | |
| Acrylic Acid Methyl Ester SCHEMBL11282822 | 0.87 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Acrylic Acid Methyl Ester SCHEMBL7643897 | 0.86 | HCAR2 (0.37) | HCAR2KEAP1NFE2L2ALDH1A1HSD17B10 | |
| Ethyl Fumarate SCHEMBL2705043 | 0.84 | HCAR2 (0.62) | HCAR2ALDH1A1MAPTATMHRH1 | |
| Fumaric Acid SCHEMBL9862115 | 0.82 | ATM (0.38) | HCAR2ATMPOLBHRH1SMN1; SMN2 | |
| Maleic Acid SCHEMBL5417329 | 0.82 | ATM (0.38) | HCAR2ATMPOLBHRH1SMN1; SMN2 | |
| SCHEMBL20497366 | 0.82 | HCAR2 (0.59) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL9245002 | 0.82 | HCAR2 (0.59) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Acrylic Acid Ethyl Ester SCHEMBL2168299 | 0.81 | HCAR2 (0.58) | HCAR2ALDH1A1HSD17B10ATMHRH1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2255857-A | — | — | None | — | — | JP | disclosed |
| EP-1130054-B1 | FLAME RETARDANT RESIN COMPOSITION | MITSUI DU PONT POLYCHEMICAL (JP) | 2008-06-18 | — | — | EP | disclosed |
| EP-1130054-A1 | FLAME RETARDANT RESIN COMPOSITION | Du Pont-Mitsui Polychemicals Co., Ltd. (JP) | 2001-09-05 | — | — | EP | disclosed |
| EP-0693091-B1 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | DU PONT (US) | 1997-10-15 | — | — | EP | disclosed |
| EP-0693091-A1 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | DU PONT (US) | 1996-01-24 | — | — | EP | disclosed |
| WO-1994024204-A2 | COMPOSITION FOR A COVER MATERIAL OF A GOLF BALL | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-10-27 | — | — | WO | disclosed |
| JP-H02255857-A | AROMATIC CARBONATE COMPOSITIONS MODIFIED WITH OXAZOLINE-FUNCTIONALIZED POLYSTYRENE REACTED WITH ETHYLENE ELASTOMER CONTAINING REACTIVE POLAR GROUPS | EXXON CHEM PATENTS INC | 1990-10-16 | — | — | JP | disclosed |