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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 7/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 SCHEMBL9617889 | 1.00 | ESRRG (0.49) | ESRRGESR1HSP90AA1MAPTALDH1A1 | |
| Fumaric Acid SCHEMBL9656796 | 0.98 | ESRRG (0.47) | ESRRGESR1HSP90AA1MAPTALDH1A1 | |
| Fumaric Acid SCHEMBL9656789 | 0.98 | ESRRG (0.47) | ESRRGESR1HSP90AA1MAPTALDH1A1 | |
| SCHEMBL3438604 | 0.87 | ESRRG (0.54) | ESRRGESR1ALDH1A1KMT2AMGAM | |
| Fumaric Acid SCHEMBL9657265 | 0.87 | ESRRG (0.44) | ESRRGESR1MAPTALDH1A1KMT2A | |
| Fumaric Acid SCHEMBL9657260 | 0.87 | ESRRG (0.44) | ESRRGESR1MAPTALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL9655021 | 0.84 | ESRRG (0.53) | ESRRGESR1ALDH1A1KMT2AMGAM | |
| SCHEMBL434849 | 0.71 | ESRRG (0.55) | ESRRGESR1CHRM4CHRM5CHRM1 | |
| SCHEMBL30576351 | 0.71 | SIGMAR1 (0.50) | ALDH1A1KMT2ACHRM1GFERHRH3 | |
| SCHEMBL14590386 | 0.70 | KDM4E (0.52) | ALDH1A1KMT2ANPSR1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4270223-A | — | — | None | — | — | JP | disclosed |
| JP-H04270223-A | PHARMACEUTICAL COMPOSITION COMPRISING THERAPEUTICALLY ACTIVE ORGANOSILANE DERIVATIVE AND ITS PREPARATION | RICHTER GEDEON V G RT | 1992-09-25 | — | — | JP | disclosed |
| EP-0472304-A2 | Pharmaceutical compositions containing therapeutically active organosilane derivatives and process for preparing same | Richter Gedeon Vegyészeti Gyár R.T. (HU) | 1992-02-26 | — | — | EP | disclosed |