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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 6/20 | 0.37 |
| ▸ | CES2 | O00748 | 5/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | FABP3 | P05413 | 5/20 | 0.34 |
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 SCHEMBL3685229 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL621871 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL8382075 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL8378110 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL48774 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL48771 | 0.98 | CA1 (0.39) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL28546317 | 0.96 | CA1 (0.38) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL394440 | 0.96 | CA1 (0.38) | CA1CES1CES2ATMBBOX1 | |
| Fumaric Acid SCHEMBL28649556 | 0.92 | CES2 (0.41) | CES1CES2FABP3 | |
| Fumaric Acid SCHEMBL28841512 | 0.92 | CA1 (0.35) | CA1CES1CES2ATMBBOX1 |
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-2170869-A1 | ALCOHOLS CONTAINING IMIDE MOIETIES AND REACTIVE OLIGOMERS PREPARED THEREFROM | Henkel AG & Co. KGaA (DE) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009014541-A1 | ALCOHOLS CONTAINING IMIDE MOIETIES AND REACTIVE OLIGOMERS PREPARED THEREFROM | HENKEL AG & CO. KGAA (DE) | 2009-01-29 | — | — | WO | disclosed |