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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 12/20 | 0.78 |
| ▸ | PDE4A | P27815 | 10/20 | 0.78 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.78 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.78 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.78 |
| ▸ | KHK | P50053 | 2/20 | 0.41 |
| ▸ | MAP3K12 | Q12852 | 4/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
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 SCHEMBL4417858 | 1.00 | CHRM3 (0.78) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4422359 | 0.88 | CHRM3 (1.00) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4424309 | 0.77 | CHRM3 (1.00) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4422598 | 0.74 | CHRM3 (1.00) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4417861 | 0.72 | CHRM3 (0.51) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4420936 | 0.70 | CHRM3 (0.66) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL5220791 | 0.67 | CHRM3 (0.47) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21200816 | 0.66 | KHK (0.43) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4419097 | 0.65 | CHRM3 (1.00) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4425038 | 0.65 | CHRM3 (1.00) | CHRM3PDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544675-B2 | Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions | UCB, S.A. (BE) | 2009-06-09 | — | — | US | disclosed |
| US-20060074068-A1 | Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions | UCB, S.A. (BE) | 2006-04-06 | — | — | US | disclosed |
| EP-1499598-A1 | CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | UCB, S.A. (BE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003087064-A1 | CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | UCB, S.A. (BE) | 2003-10-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060074068-A1 | Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions | PDE7A, CHRM3, PDE4B | CHRM3 2/4885PDE4A 5/4885PDE4B 3/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.