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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 3/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL1689068 | 0.90 | CHRNA7 (0.73) | CHRNA7CHRNB4CHRNA3APPCA1 | |
| Fumaric Acid SCHEMBL5218174 | 0.87 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3NPC1RAB9A | |
| Fumaric Acid SCHEMBL2111723 | 0.86 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL2112064 | 0.84 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL2113241 | 0.82 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2113153 | 0.82 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3HTR3AKCNH2 | |
| Fumaric Acid SCHEMBL2112124 | 0.82 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL5220969 | 0.81 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3CA1CA2 | |
| Fumaric Acid SCHEMBL392434 | 0.80 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL391501 | 0.80 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3KDM4EALDH1A1 |
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-8158619-B2 | 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use | NEUROSEARCH A/S (DK) | 2012-04-17 | — | — | US | disclosed |