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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.68 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.68 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.68 |
| ▸ | HTR3A | P46098 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL230959 | 0.92 | CHRNA7 (0.79) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL232246 | 0.90 | CHRNA7 (0.85) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL232167 | 0.89 | CHRNA7 (0.63) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| SCHEMBL19488944 | 0.85 | CHRNA7 (0.82) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL5220969 | 0.82 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3HTR3A | |
| SCHEMBL18016314 | 0.81 | CHRNA7 (1.00) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| SCHEMBL233116 | 0.81 | CHRNA7 (1.00) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2113241 | 0.80 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| SCHEMBL233073 | 0.79 | CHRNA7 (0.73) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2112124 | 0.79 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3 |
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-20120003153-A1 | NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE | NEUROSEARCH A/S (DK) | 2012-01-05 | — | — | 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-20120003153-A1 | NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE | CHRNA6, CHRNA10, CHRNA3 | KCNH2 650/4885CHRM3 11/4885S1PR1 1481/4885 |
“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.