Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.56 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.56 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.56 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.56 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.56 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 7/20 | 0.57 |
| ▸ | CACNA1F | O60840 | 6/20 | 0.57 |
| ▸ | CACNA1D | Q01668 | 6/20 | 0.57 |
| ▸ | CACNA1S | Q13698 | 6/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.56 |
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 SCHEMBL9761229 | 1.00 | CACNA1C (0.57) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760752 | 0.91 | CACNA1C (0.63) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760768 | 0.91 | CACNA1C (0.63) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760070 | 0.88 | TBXA2R (0.51) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760049 | 0.88 | TBXA2R (0.51) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| SCHEMBL10569548 | 0.86 | CACNA1C (0.69) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| SCHEMBL10569551 | 0.86 | CACNA1C (0.69) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| SCHEMBL7291670 | 0.86 | TBXA2R (0.74) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760046 | 0.85 | HTR1A (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A | |
| Fumaric Acid SCHEMBL9760027 | 0.85 | HTR1A (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SADRA1A |
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 |