Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | PIK3CB known ✓ | P42338 | 3/20 | 0.38 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 10/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6550742 | 0.95 | SMN1; SMN2 (0.42) | MEN1KMT2AABCB1POLBPKM | |
| SCHEMBL6550745 | 0.95 | SMN1; SMN2 (0.42) | MEN1KMT2AABCB1POLBPKM | |
| SCHEMBL6548761 | 0.89 | MEN1 (0.46) | MEN1KMT2ANAMPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL6549255 | 0.86 | HSF1 (0.46) | ABCB1SMN1; SMN2MAPK1 | |
| SCHEMBL6549259 | 0.86 | HSF1 (0.46) | ABCB1SMN1; SMN2MAPK1 | |
| SCHEMBL6549086 | 0.85 | POLB (0.51) | MEN1KMT2AABCB1POLBPKM | |
| SCHEMBL6549091 | 0.85 | POLB (0.51) | MEN1KMT2AABCB1POLBPKM | |
| SCHEMBL7892132 | 0.76 | HSF1 (0.47) | ABCB1POLBPIK3CBPKMSMN1; SMN2 | |
| SCHEMBL7892135 | 0.76 | HSF1 (0.47) | ABCB1POLBPIK3CBPKMSMN1; SMN2 | |
| SCHEMBL6548872 | 0.76 | ABCB1 (0.55) | ABCB1SMN1; SMN2MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115697-B1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | GENE KUTATO KFT N (HU) | 2004-02-04 | — | — | EP | disclosed |
| US-6500823-B1 | ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES | N-GENE RESEARCH LABORATORIES, INC. | 2002-12-31 | — | — | US | disclosed |
| EP-1115697-A1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | N-Gene Kutato KFT. (HU) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000014054-A1 | UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS | N-Gene Kutató Kft. (HU) | 2000-03-16 | — | — | WO | disclosed |