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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.52 |
| ▸ | ADH1B | P00325 | 1/20 | 0.52 |
| ▸ | ADH1C | P00326 | 1/20 | 0.52 |
| ▸ | ADH1A | P07327 | 1/20 | 0.52 |
| ▸ | ADH4 | P08319 | 1/20 | 0.52 |
| ▸ | ADH7 | P40394 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
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 SCHEMBL11249013 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TSHRHCAR2EPHX1ADH1B | |
| Fumaric Acid SCHEMBL6904086 | 0.91 | HCAR2 (0.50) | ALDH1A1TSHRHCAR2EPHX1ADH1B | |
| Fumaric Acid SCHEMBL18696153 | 0.88 | ALDH1A1 (0.48) | ALDH1A1TSHRHCAR2EPHX1ADH1B | |
| Fumaric Acid SCHEMBL18696155 | 0.88 | ALDH1A1 (0.48) | ALDH1A1TSHRHCAR2EPHX1ADH1B | |
| Bicarbonate SCHEMBL28356299 | 0.86 | TSHR (0.68) | ALDH1A1TSHREPHX1ADH1BADH1C | |
| Bicarbonate SCHEMBL910462 | 0.86 | TSHR (0.68) | ALDH1A1TSHREPHX1ADH1BADH1C | |
| Bicarbonate SCHEMBL1244952 | 0.86 | TSHR (0.68) | ALDH1A1TSHREPHX1ADH1BADH1C | |
| Octane SCHEMBL2904002 | 0.86 | HCAR2 (0.65) | ALDH1A1TSHRHCAR2 | |
| Fumaric Acid SCHEMBL3414623 | 0.86 | HCAR2 (0.65) | ALDH1A1TSHRHCAR2 | |
| Decane SCHEMBL9668679 | 0.86 | HCAR2 (0.65) | ALDH1A1TSHRHCAR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4316783-A | CROSSLINKING, IRRADIATION | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) | 1982-02-23 | — | — | US | disclosed |