Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706486 | 0.93 | MEN1 (0.56) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| Bromide SCHEMBL9706367 | 0.92 | MEN1 (0.55) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL6243922 | 0.78 | KDM4E (0.56) | MEN1KMT2AMAPK1MAPTGAA | |
| Fumaric Acid SCHEMBL9849283 | 0.75 | MEN1 (0.49) | MEN1KMT2ATBXAS1SMN1; SMN2TP53 | |
| SCHEMBL14255017 | 0.72 | TBXAS1 (0.66) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL14255015 | 0.72 | TBXAS1 (0.66) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL11261485 | 0.71 | TBXAS1 (0.60) | MEN1KMT2ATBXAS1MAPK1ALDH1A1 | |
| SCHEMBL9706477 | 0.71 | MEN1 (0.58) | MEN1KMT2ATBXAS1MAPK1SMN1; SMN2 | |
| SCHEMBL11265758 | 0.69 | CYP11B1 (0.56) | MEN1KMT2ATBXAS1MAPK1SMN1; SMN2 | |
| SCHEMBL5582143 | 0.69 | HDAC3 (0.71) | MEN1KMT2AHDAC3HDAC4HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0198325-B1 | SUBSTITUTED ANILINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1992-07-15 | — | — | EP | disclosed |
| US-4696930-A | CARDIOVASCULAR DISORDERS, ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1987-09-29 | — | — | US | disclosed |