Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 2/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 7/20 | 0.39 |
| ▸ | MAOA | P21397 | 6/20 | 0.39 |
| ▸ | NOS2 | P35228 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 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 SCHEMBL5349531 | 1.00 | MAOB (0.39) | MAOBMAOANOS2S1PR1ACHE | |
| Fumaric Acid SCHEMBL5346163 | 0.94 | TAS1R3 (0.38) | MAOBMAOANOS2S1PR1ACHE | |
| Fumaric Acid SCHEMBL5346157 | 0.94 | TAS1R3 (0.38) | MAOBMAOANOS2S1PR1ACHE | |
| Fumaric Acid SCHEMBL6101246 | 0.93 | S1PR1 (0.38) | MAOBMAOANOS2S1PR1ACHE | |
| Fumaric Acid SCHEMBL6101242 | 0.93 | S1PR1 (0.38) | MAOBMAOANOS2S1PR1ACHE | |
| SCHEMBL5350085 | 0.91 | MAOB (0.44) | MAOBMAOANOS2S1PR1CYP2D6 | |
| SCHEMBL5343636 | 0.85 | CA1 (0.40) | MAOBMAOANOS2S1PR1CYP2D6 | |
| Fumaric Acid SCHEMBL5346080 | 0.75 | SLC6A4 (0.45) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Fumaric Acid SCHEMBL5346092 | 0.75 | SLC6A4 (0.45) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Fumaric Acid SCHEMBL5343413 | 0.75 | SLC6A4 (0.45) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 |
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 | S1PR1 3076/4885SLC6A2 870/4885SLC6A4 395/4885 |
| 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 | S1PR1 2663/4885SLC6A2 1537/4885SLC6A4 1110/4885 |
“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.