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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 9/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 9/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 9/20 | 0.45 |
| ▸ | MLNR known ✓ | O43193 | 1/20 | 0.44 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.44 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.44 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.44 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.44 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.44 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.44 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.44 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.44 |
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 SCHEMBL6576603 | 1.00 | NOS2 (0.64) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6490035 | 0.94 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6501014 | 0.94 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6552948 | 0.94 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6501018 | 0.94 | NOS2 (0.73) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| SCHEMBL6577190 | 0.91 | NOS2 (0.57) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL7608432 | 0.86 | NOS2 (0.55) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6497311 | 0.85 | NOS2 (0.56) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| Fumaric Acid SCHEMBL6497318 | 0.85 | NOS2 (0.56) | NOS2SLC6A3SLC6A2SLC6A4MLNR | |
| SCHEMBL6498618 | 0.84 | NOS2 (0.66) | NOS2SLC6A3SLC6A2SLC6A4MLNR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743939-B2 | NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE | ASTRAZENECA AB (SE) | 2004-06-01 | — | — | US | disclosed |
| EP-1263714-B1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-06-05 | — | — | US | disclosed |
| EP-1263714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | 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-20030105161-A1 | Novel phenylheteroalkylamine derivatives | NOS1, CYP1A1, NOS2 | SLC6A3 3310/4885SLC6A2 2667/4885SLC6A4 2202/4885 |
“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.