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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 13/20 | 0.78 |
| ▸ | CHRNA4 | P43681 | 13/20 | 0.78 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.74 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.74 |
| ▸ | PIM2 | Q9P1W9 | 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 SCHEMBL27545124 | 0.92 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| SCHEMBL5656979 | 0.89 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL3678685 | 0.86 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| Fumaric Acid SCHEMBL27576931 | 0.85 | CHRNB2 (0.76) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| Fumaric Acid SCHEMBL27456545 | 0.81 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| Fumaric Acid SCHEMBL27456546 | 0.81 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA1CHRNA7PIM2 | |
| SCHEMBL3061895 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL30609673 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| Fumaric Acid SCHEMBL27582785 | 0.77 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL6094605 | 0.74 | CHRNB2 (0.78) | CHRNB2CHRNA4CHRNA1CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1348449-A | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH AS (DK) | 2002-05-08 | — | — | CN | disclosed |