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 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | INMT | O95050 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL28262357 | 1.00 | TSHR (0.53) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL22721173 | 1.00 | TSHR (0.53) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL10777530 | 1.00 | TSHR (0.53) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL22721174 | 1.00 | TSHR (0.53) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL28102294 | 0.88 | TSHR (0.60) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Crotonic Acid SCHEMBL27977236 | 0.85 | ALDH1A1 (0.38) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL7183473 | 0.84 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Fumaric Acid SCHEMBL28230141 | 0.84 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Maleic Acid SCHEMBL7183468 | 0.84 | TSHR (0.64) | TSHRTP53EGLN1EGLN3ALDH1A1 | |
| Tetrahydrofuran SCHEMBL2238407 | 0.82 | ALDH1A1 (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825631-B | BE-43547 derivative and salt thereof, preparation method and application thereof in preparation of anticancer drugs | 新沂尚德药缘药业有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-111825631-A | BE-43547 derivative and its salt, preparation method and use in preparing anticancer medicine | 南开大学 | 2020-10-27 | — | — | CN | disclosed |