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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 5/20 | 0.49 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 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 SCHEMBL9014048 | 0.79 | HRH1 (0.48) | HRH1KCNH2 | |
| Fumaric Acid SCHEMBL9014052 | 0.79 | HRH1 (0.48) | HRH1KCNH2 | |
| SCHEMBL8799456 | 0.78 | HRH3 (0.49) | HPGDHRH1KCNH2HRH3 | |
| SCHEMBL943416 | 0.76 | KCNH2 (0.52) | HRH1MAPTNPSR1KCNH2LMNA | |
| Fumaric Acid SCHEMBL9013969 | 0.75 | HRH1 (0.47) | HRH1KCNH2 | |
| Fumaric Acid SCHEMBL9013959 | 0.75 | HRH1 (0.47) | HRH1KCNH2 | |
| Fumaric Acid SCHEMBL9013968 | 0.74 | HRH1 (0.53) | HRH1KCNH2HRH3 | |
| Fumaric Acid SCHEMBL9013975 | 0.74 | HRH1 (0.53) | HRH1KCNH2HRH3 | |
| Fumaric Acid SCHEMBL9013837 | 0.74 | HRH1 (0.48) | HRH1KCNH2EPHX2 | |
| Fumaric Acid SCHEMBL9013846 | 0.74 | HRH1 (0.48) | HRH1KCNH2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5580883-A | INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-03 | — | — | US | disclosed |
| EP-0449195-A2 | Aminobenzene compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-10-02 | — | — | EP | disclosed |