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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | FABP3 | P05413 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 SCHEMBL8397710 | 1.00 | CES2 (0.43) | CES2CES1FABP3CA2 | |
| Fumaric Acid SCHEMBL8846375 | 0.91 | CA1 (0.39) | CES2CES1FABP3 | |
| Fumaric Acid SCHEMBL2811329 | 0.91 | CA1 (0.39) | CES2CES1FABP3 | |
| Fumaric Acid SCHEMBL8327122 | 0.91 | CA1 (0.39) | CES2CES1FABP3 | |
| Bicarbonate SCHEMBL7998496 | 0.87 | CES2 (0.50) | CES2CES1FABP3CA2 | |
| Acrylic Acid SCHEMBL4444996 | 0.86 | ZDHHC20 (0.44) | CES2CES1FABP3 | |
| Acrylic Acid SCHEMBL673644 | 0.86 | ZDHHC20 (0.44) | CES2CES1FABP3 | |
| Acetic Acid SCHEMBL2695510 | 0.85 | CES1 (0.48) | CES2CES1FABP3CA2 | |
| Acetic Acid SCHEMBL15529625 | 0.85 | CES1 (0.48) | CES2CES1FABP3CA2 | |
| Acetic Acid SCHEMBL15529776 | 0.85 | CES1 (0.48) | CES2CES1FABP3CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0685460-B1 | PROCESS FOR PRODUCING HIGHER CYANOACETIC ESTER | MITSUBISHI RAYON CO (JP) | 1999-06-09 | — | — | EP | claimed |
| US-5698730-A | TRANSESTERIFICATION REACTION OF CYANOACETIC ACID ESTER WITH ALCOHOL IN THE PRESENCE OF ORGANOTIN CATALYST | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-12-16 | — | — | US | claimed |
| EP-0685460-A1 | PROCESS FOR PRODUCING HIGHER CYANOACETIC ESTER | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-12-06 | — | — | EP | claimed |
| EP-0685460-B1 | PROCESS FOR PRODUCING HIGHER CYANOACETIC ESTER | MITSUBISHI RAYON CO (JP) | 1999-06-09 | — | — | EP | disclosed |
| US-5698730-A | TRANSESTERIFICATION REACTION OF CYANOACETIC ACID ESTER WITH ALCOHOL IN THE PRESENCE OF ORGANOTIN CATALYST | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-12-16 | — | — | US | disclosed |
| US-5637752-A | ESTER INTERCHANGE IN PRESENCE OF AN ORGANOTIN CATALYST | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-06-10 | — | — | US | disclosed |
| EP-0685460-A1 | PROCESS FOR PRODUCING HIGHER CYANOACETIC ESTER | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-12-06 | — | — | EP | disclosed |
| US-4281175-A | TRANSESTERIFICATION WITH ALKYLTIN CATALYSTS | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-07-28 | — | — | US | disclosed |