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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 5/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.39 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.39 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 5/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | FNTA | P49354 | 4/20 | 0.39 |
| ▸ | FNTB | P49356 | 4/20 | 0.39 |
| ▸ | PGGT1B | P53609 | 4/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5347095 | 0.92 | SLC6A4 (0.44) | NOS2ADRB1ADRB3LMNASLC6A4 | |
| Fumaric Acid SCHEMBL5345885 | 0.89 | SLC6A4 (0.47) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5345893 | 0.89 | SLC6A4 (0.47) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5347273 | 0.85 | NOS2 (0.41) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5347266 | 0.85 | NOS2 (0.41) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5343683 | 0.83 | HTR2A (0.40) | NOS2LMNASLC6A4FNTAFNTB | |
| Fumaric Acid SCHEMBL5343693 | 0.83 | HTR2A (0.40) | NOS2LMNASLC6A4FNTAFNTB | |
| Fumaric Acid SCHEMBL5344203 | 0.83 | NOS2 (0.39) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5344209 | 0.83 | NOS2 (0.39) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL5339637 | 0.82 | NOS2 (0.43) | NOS2LMNASLC6A4CYP2D6SLC6A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276528-B2 | Compounds for the inhibition of nitric oxide synthase | ASTRAZENECA AB (SE) | 2007-10-02 | — | — | US | disclosed |
| US-7119122-B2 | Compounds for the inhibition of nitric oxide synthase | ASTRAZENECA AB (SE) | 2006-10-10 | — | — | US | disclosed |
| US-20060217424-A1 | Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain | CONNOLLY STEPHEN | 2006-09-28 | — | — | US | disclosed |
| US-20040260088-A1 | 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | US | disclosed |
| EP-1434756-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003029185-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2003-04-10 | — | — | 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 (2 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-20040260088-A1 | 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines | NOS1, NOS3, NOS2 | ADRB1 184/4885SLC6A4 395/4885SLC6A2 870/4885 |
| US-20060217424-A1 | Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain | NOS3, NOS1, NOS2 | ADRB1 174/4885SLC6A4 1110/4885SLC6A2 1537/4885 |
“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.