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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.31 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001951 | 0.94 | HRH3 (0.40) | HRH3METAP2CHRM3NPY5RACHE | |
| Fumaric Acid SCHEMBL2435682 | 0.85 | TSHR (0.41) | HRH3METAP2ACHE | |
| Fumaric Acid SCHEMBL2435679 | 0.85 | TSHR (0.41) | HRH3METAP2ACHE | |
| Fumaric Acid SCHEMBL27987046 | 0.85 | TSHR (0.41) | HRH3METAP2ACHE | |
| Fumaric Acid SCHEMBL9898162 | 0.85 | TSHR (0.41) | HRH3METAP2ACHE | |
| Fumaric Acid SCHEMBL9898674 | 0.84 | TSHR (0.41) | HRH3METAP2 | |
| Fumaric Acid SCHEMBL9898673 | 0.84 | TSHR (0.41) | HRH3METAP2 | |
| Oxalic Acid SCHEMBL1241171 | 0.79 | HRH3 (0.44) | HRH3METAP2 | |
| Water SCHEMBL16161850 | 0.78 | HRH3 (0.46) | HRH3 | |
| SCHEMBL1241268 | 0.78 | HRH3 (0.46) | HRH3 |
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-105764510-A | An H3 receptor antagonist combined with a cholinesterase inhibitor for use in the treatment of alzheimer's disease | 赛诺菲 | 2016-07-13 | — | — | CN | disclosed |