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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.86 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.86 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.86 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.86 |
| ▸ | DRD1 known ✓ | P21728 | 2/20 | 0.86 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.86 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.86 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.86 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.86 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.86 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.86 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.86 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.86 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.86 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.86 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.86 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.54 |
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.86 |
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 SCHEMBL9761413 | 1.00 | TBXA2R (0.86) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Levamlodipine SCHEMBL4732063 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Amlodipine SCHEMBL2374078 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Amlodipine SCHEMBL121252 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Levamlodipine SCHEMBL121253 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Levamlodipine SCHEMBL29383463 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Amlodipine SCHEMBL5459835 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| Amlodipine SCHEMBL6222941 | 0.98 | TBXA2R (0.90) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| SCHEMBL9829653 | 0.95 | TBXA2R (0.96) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 | |
| SCHEMBL9829661 | 0.95 | TBXA2R (0.96) | TBXA2RADRA1ASLC6A3ADORA3ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| US-5026863-A | Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders | ADIR ET COMPAGNIE (FR) | 1991-06-25 | — | — | US | disclosed |
| US-4983740-A | Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide | ADIR ET COMPAGNIE (FR) | 1991-01-08 | — | — | US | disclosed |
| US-4870091-A | CALCIUM CHANNEL BLOCKERS | ADIR ET CIE (FR) | 1989-09-26 | — | — | US | disclosed |