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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 9/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6577593 | 0.93 | NOS2 (0.63) | NOS2LMNAALDH1A1SLC6A4CYP2D6 | |
| SCHEMBL6493593 | 0.83 | NOS2 (0.68) | NOS2LMNAALDH1A1SLC6A4CYP2D6 | |
| Fumaric Acid SCHEMBL6491990 | 0.82 | NOS2 (1.00) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL6491175 | 0.82 | NOS2 (1.00) | NOS2LMNASLC6A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL6552982 | 0.82 | NOS2 (0.67) | NOS2LMNAALDH1A1SLC6A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6491823 | 0.82 | NOS2 (0.67) | NOS2LMNAALDH1A1SLC6A4CYP2D6 | |
| Fumaric Acid SCHEMBL6576541 | 0.81 | NOS2 (0.66) | NOS2ALDH1A1SLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL6576532 | 0.81 | NOS2 (0.66) | NOS2ALDH1A1SLC6A4CYP2D6SLC6A2 | |
| Fumaric Acid SCHEMBL6497311 | 0.78 | NOS2 (0.56) | NOS2LMNAALDH1A1SLC6A4CYP2D6 | |
| Fumaric Acid SCHEMBL6497318 | 0.78 | NOS2 (0.56) | NOS2LMNAALDH1A1SLC6A4CYP2D6 |
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 3 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 |
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 | SLC6A4 2202/4885SLC6A2 2667/4885KCNH2 621/4885 |
“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.