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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.46 |
| ▸ | SOD1 | P00441 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6092843 | 0.75 | SOD1 (0.54) | ALDH1A1SOD1KDM4EPOLBL3MBTL1 | |
| SCHEMBL9906905 | 0.75 | MEN1 (0.65) | MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL9706480 | 0.75 | MEN1 (0.50) | MEN1KMT2AALDH1A1SMN1; SMN2TBXAS1 | |
| Maleic Acid SCHEMBL9849513 | 0.74 | NMT1 (0.46) | ALDH1A1CYP19A1SMN1; SMN2TBXAS1SOD1 | |
| Maleic Acid SCHEMBL9659052 | 0.72 | TBXAS1 (0.44) | MEN1KMT2ASMN1; SMN2TBXAS1SOD1 | |
| Fumaric Acid SCHEMBL9659056 | 0.72 | TBXAS1 (0.44) | MEN1KMT2ASMN1; SMN2TBXAS1SOD1 | |
| SCHEMBL3632615 | 0.71 | GSK3A (0.61) | MEN1KMT2AALDH1A1SMN1; SMN2SOD1 | |
| SCHEMBL7172927 | 0.70 | RAB9A (0.51) | MEN1KMT2ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL3625365 | 0.70 | ALDH1A1 (0.54) | MEN1KMT2AALDH1A1CYP19A1SMN1; SMN2 | |
| SCHEMBL9849299 | 0.70 | ALDH1A1 (0.65) | MEN1KMT2AALDH1A1SMN1; SMN2SOD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |