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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL27456546 | 1.00 | CHRNB2 (0.51) | CHRNB2CHRNA4CHEK1CHRNA1CHRNA7 | |
| SCHEMBL3453464 | 0.88 | CHRNB2 (0.64) | CHRNB2CHRNA4CHEK1CHRNA1CHRNA7 | |
| Fumaric Acid SCHEMBL27545124 | 0.83 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| Fumaric Acid SCHEMBL27562175 | 0.81 | CHRNB2 (0.78) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| SCHEMBL27819269 | 0.77 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA1CHRNA7RAB9A | |
| Fumaric Acid SCHEMBL27545133 | 0.76 | MAPT (0.50) | CHRNB2CHRNA4CHEK1PIM2MAPT | |
| Fumaric Acid SCHEMBL27545129 | 0.76 | MAPT (0.50) | CHRNB2CHRNA4CHEK1PIM2MAPT | |
| Fumaric Acid SCHEMBL27619908 | 0.76 | PIM2 (0.54) | ALOX15ALDH1A1KDM4EPIM2MEN1 | |
| Fumaric Acid SCHEMBL27562174 | 0.76 | HPGD (0.47) | CHRNB2CHRNA4CHEK1RAB9APIM2 | |
| SCHEMBL990018 | 0.72 | NOS3 (0.49) | CHEK1RAB9APIM2CYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | CN | disclosed |