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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 4/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL2638881 | 0.90 | CHRNA7 (0.58) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| SCHEMBL18016321 | 0.90 | CHRNA7 (0.58) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL5218174 | 0.83 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2114381 | 0.79 | CHRNA7 (0.51) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL232167 | 0.79 | CHRNA7 (0.63) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL5216874 | 0.78 | CHRNA7 (0.50) | CHRNA7CHRNB4CHRNA3HTR3A | |
| Fumaric Acid SCHEMBL2111723 | 0.78 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2113268 | 0.78 | CHRNA7 (0.60) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL5220969 | 0.77 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3HTR3A | |
| Fumaric Acid SCHEMBL2112312 | 0.77 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011058002-A1 | LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS | NEUROSEARCH A/S (DK) | 2011-05-19 | — | — | WO | disclosed |