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 | 2/20 | 0.68 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.68 |
| ▸ | CACNA1F known ✓ | O60840 | 10/20 | 0.61 |
| ▸ | CACNA1D known ✓ | Q01668 | 10/20 | 0.61 |
| ▸ | CACNA1S known ✓ | Q13698 | 10/20 | 0.61 |
| ▸ | CACNA1C known ✓ | Q13936 | 10/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | THPO | P40225 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9502328 | 1.00 | HIF1A (0.68) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7285057 | 0.95 | HIF1A (0.75) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29661098 | 0.95 | HIF1A (0.75) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7465183 | 0.95 | HIF1A (0.65) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL7465170 | 0.95 | HIF1A (0.65) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7470748 | 0.94 | HIF1A (0.73) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7279710 | 0.92 | CACNA1F (0.73) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7285515 | 0.91 | CACNA1F (0.71) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7473704 | 0.91 | HIF1A (0.66) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL9808384 | 0.91 | CACNA1F (0.56) | HIF1AMEN1CYP1A2CYP3A4CYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458823-B1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1993-10-13 | — | — | EP | disclosed |
| US-5245039-A | PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-09-14 | — | — | US | disclosed |
| US-5021436-A | Antiulcer, anticoagulant, antiischaemic agent | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1991-06-04 | — | — | US | disclosed |
| US-4999362-A | Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1991-03-12 | — | — | US | disclosed |
| WO-1990009376-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-23 | — | — | WO | disclosed |
| EP-0383320-A1 | A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-22 | — | — | EP | disclosed |
| EP-0233228-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987000836-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1987-02-12 | — | — | WO | disclosed |