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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 8/20 | 0.57 |
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.57 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8530351 | 1.00 | GAA (0.60) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Maleic Acid SCHEMBL29711085 | 0.88 | SMN1; SMN2 (0.71) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL8533566 | 0.79 | SLC6A4 (0.61) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Fumaric Acid SCHEMBL8587760 | 0.78 | GAA (0.51) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Maleic Acid SCHEMBL8587758 | 0.78 | GAA (0.51) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Maleic Acid SCHEMBL8530058 | 0.77 | GAA (0.47) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| Fumaric Acid SCHEMBL8530062 | 0.77 | GAA (0.47) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11749150 | 0.77 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA | |
| Oxalic Acid SCHEMBL8531599 | 0.77 | SLC6A4 (0.59) | GAAGFERSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL10341596 | 0.76 | SLC6A4 (0.69) | GAAGFERSLC6A4SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0859757-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | Farmak A.S. (CZ) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997017325-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | FARMAK A.S. (CZ) | 1997-05-15 | — | — | WO | disclosed |