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 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.54 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.54 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8308573 | 0.89 | GRIN2D (0.67) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Fumaric Acid SCHEMBL8862595 | 0.81 | GRIN2D (0.54) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Fumaric Acid SCHEMBL8863069 | 0.79 | GAA (0.41) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| Fumaric Acid SCHEMBL8862530 | 0.77 | CYP1A2 (0.58) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7824760 | 0.76 | GAA (0.50) | KDM4ELMNAHPGDVNN1GAA | |
| SCHEMBL7824758 | 0.76 | GAA (0.50) | KDM4ELMNAHPGDVNN1GAA | |
| SCHEMBL7824762 | 0.76 | GAA (0.50) | KDM4ELMNAHPGDVNN1GAA | |
| SCHEMBL13200763 | 0.73 | KDM4E (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL1768809 | 0.71 | CYP1A2 (0.50) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL1768807 | 0.71 | CYP1A2 (0.50) | KDM4EALDH1A1MEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0612314-B1 | 2-PYRAZINYLETHYLAMINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRA AB (SE) | 1999-12-29 | — | — | EP | disclosed |
| US-5607935-A | 2-heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0540318-A1 | 2-Heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |