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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.50 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
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 SCHEMBL30862145 | 1.00 | TSHR (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL19458350 | 0.83 | TSHR (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL27815669 | 0.83 | TSHR (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL27794496 | 0.83 | TSHR (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL19458471 | 0.83 | TSHR (0.50) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL16892540 | 0.82 | TSHR (0.62) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL16892536 | 0.82 | TSHR (0.62) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL1072992 | 0.82 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL19458351 | 0.82 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL19458332 | 0.82 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 |
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-117836271-A | Salts of phenylpyrrolaminoguanidine and polymorphs of phenylpyrrolaminoguanidine onium salts | 西奈克制药有限公司 | 2024-04-05 | — | — | CN | claimed |