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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.45 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.77 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.77 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.69 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.69 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 SCHEMBL27562175 | 0.92 | CHRNB2 (0.78) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| SCHEMBL30609673 | 0.88 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7ADRB1 | |
| SCHEMBL3061895 | 0.88 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7ADRB1 | |
| Fumaric Acid SCHEMBL27456545 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4 | |
| Fumaric Acid SCHEMBL27456546 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4 | |
| SCHEMBL3678685 | 0.82 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7ADRB1 | |
| Fumaric Acid SCHEMBL27454235 | 0.81 | HTR1A (0.54) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4 | |
| SCHEMBL5656979 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4 | |
| Fumaric Acid SCHEMBL27454231 | 0.77 | CHRNB2 (0.67) | CHRNB2CHRNA4ADRB1HTR3EHTR3B | |
| Fumaric Acid SCHEMBL27576931 | 0.77 | CHRNB2 (0.76) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 |
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 |