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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.39 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL30172359 | 1.00 | EPHX1 (0.41) | EPHX1KMT2AGAAKCNA5ALDH1A1 | |
| SCHEMBL30172379 | 0.87 | KCNA5 (0.44) | EPHX1GAAKCNA5SLC6A2KCNH2 | |
| Bromide SCHEMBL30172419 | 0.86 | KCNA5 (0.43) | EPHX1GAAKCNA5SLC6A2KCNH2 | |
| SCHEMBL10449365 | 0.78 | TACR1 (0.51) | KMT2AGAAALDH1A1HPGDHDAC3 | |
| SCHEMBL9289991 | 0.73 | KCNA5 (0.50) | KMT2AKCNA5ALDH1A1HPGDKCNH2 | |
| SCHEMBL22910534 | 0.72 | LTA4H (0.53) | EPHX1KCNA5SLC6A2KCNH2 | |
| SCHEMBL3737503 | 0.70 | AKR1B1 (0.50) | KMT2AKCNA5ALDH1A1CYP2C9HPGD | |
| SCHEMBL6779494 | 0.70 | KMT2A (0.65) | KMT2AALDH1A1HPGDHDAC3HDAC1 | |
| SCHEMBL2557632 | 0.69 | EPHX1 (0.43) | EPHX1KMT2AKCNA5ALDH1A1MEN1 | |
| SCHEMBL23330752 | 0.68 | KCNA5 (0.47) | EPHX1KCNA5ALDH1A1KCNH2SMN1; SMN2 |
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-115677675-A | Salt of 6-oxaspiro [4,5] decane compound, preparation method and application | 成都苑东生物制药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |