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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 10/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 SCHEMBL9348851 | 0.92 | CHRM3 (0.38) | CHRM3BCHETMEM97 | |
| SCHEMBL9330735 | 0.89 | KEAP1 (0.39) | CHRM3 | |
| Fumaric Acid SCHEMBL9345675 | 0.85 | KCNH2 (0.43) | CHRM3BCHE | |
| Fumaric Acid SCHEMBL9348940 | 0.84 | CHRM3 (0.38) | CHRM3 | |
| Fumaric Acid SCHEMBL9345611 | 0.82 | TMEM97 (0.39) | CHRM3TMEM97 | |
| Fumaric Acid SCHEMBL9348675 | 0.81 | SMN1; SMN2 (0.39) | CHRM3BCHE | |
| SCHEMBL9330490 | 0.80 | ALOX15 (0.41) | CHRM3 | |
| SCHEMBL4587607 | 0.78 | KDM4E (0.38) | CHRM3BCHETMEM97KDM4ECYP2D6 | |
| SCHEMBL5148816 | 0.77 | GSR (0.35) | BCHETMEM97KDM4ECYP2D6CYP2C19 | |
| SCHEMBL4586997 | 0.77 | KDM4E (0.40) | BCHETMEM97KDM4ECYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |