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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 19/20 | 0.66 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557131 | 0.94 | HRH3 (0.73) | HRH3MGLLKCNH2 | |
| SCHEMBL4557128 | 0.94 | HRH3 (0.73) | HRH3MGLLKCNH2 | |
| Fumaric Acid SCHEMBL1814164 | 0.85 | HRH3 (0.88) | HRH3KCNH2 | |
| SCHEMBL12655843 | 0.83 | HRH3 (0.74) | HRH3MGLLKCNH2 | |
| SCHEMBL1812862 | 0.80 | HRH3 (0.71) | HRH3KCNH2 | |
| SCHEMBL1811575 | 0.79 | HRH3 (1.00) | HRH3KCNH2 | |
| SCHEMBL1810769 | 0.78 | HRH3 (0.98) | HRH3KCNH2 | |
| SCHEMBL1811411 | 0.78 | HRH3 (0.98) | HRH3KCNH2 | |
| SCHEMBL1812849 | 0.78 | HRH3 (0.85) | HRH3KCNH2 | |
| SCHEMBL1808914 | 0.78 | HRH3 (0.85) | HRH3KCNH2 |
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-7935719-B2 | N-substituted-azacyclylamines as histamine-3 antagonists | WYETH LLC (US) | 2011-05-03 | — | — | US | disclosed |