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 | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL196815 | 0.87 | — | — | |
| Iodide SCHEMBL30042709 | 0.85 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| Hydrochloric Acid SCHEMBL8143027 | 0.85 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| Hydrochloric Acid SCHEMBL1876862 | 0.85 | CA12 (0.57) | CA12CA1CA2CA9MGAM | |
| Fumaric Acid SCHEMBL27440389 | 0.79 | HCAR2 (0.64) | HCAR2MGAMGAASIMGAM2 | |
| Maleic Acid SCHEMBL27487898 | 0.79 | HCAR2 (0.64) | HCAR2MGAMGAASIMGAM2 | |
| SCHEMBL2115214 | 0.78 | HCAR2 (0.58) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL2115216 | 0.78 | HCAR2 (0.58) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL2115871 | 0.76 | HCAR2 (0.54) | HCAR2CA12CA1CA2CA9 | |
| SCHEMBL2115867 | 0.76 | HCAR2 (0.54) | HCAR2CA12CA1CA2CA9 |
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-1329614-A | Fused pyridazine derivatives, process for preparation of same and uses thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-01-02 | — | — | CN | disclosed |