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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.43 |
| ▸ | HTR3A | P46098 | 5/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 7/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL235246 | 0.87 | HTR3A (0.52) | HTR3AKCNH2CHRNA7PIM1 | |
| Fumaric Acid SCHEMBL503796 | 0.86 | KCNH2 (0.43) | HTR3AKCNH2CHRNA7 | |
| Fumaric Acid SCHEMBL503831 | 0.86 | CHRNA1 (0.34) | HTR3AKCNH2CHRNA7 | |
| SCHEMBL4089385 | 0.73 | KMT2A (0.43) | CHRNA7 | |
| Hydrochloric Acid SCHEMBL4094577 | 0.72 | KMT2A (0.43) | CHRNA7 | |
| SCHEMBL242574 | 0.71 | CHRNA7 (0.40) | HTR3AKCNH2CHRNA7 | |
| SCHEMBL504169 | 0.71 | HTR3A (0.52) | HTR3AKCNH2CHRNA7 | |
| SCHEMBL503793 | 0.71 | CHRNA7 (0.40) | HTR3AKCNH2CHRNA7 | |
| Fumaric Acid SCHEMBL1782498 | 0.71 | ALKBH1 (0.44) | KCNH2 | |
| Hydrochloric Acid SCHEMBL3756715 | 0.70 | CHRNA7 (0.40) | HTR3AKCNH2CHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028967-A1 | NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2012-02-02 | — | — | 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-20120028967-A1 | NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE | CHRNA5, CHRNA6, CHRNA3 | KCNH2 801/4885HTR3A 104/4885CHRNA7 6/4885 |
“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.