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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.39 |
| ▸ | REN known ✓ | P00797 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8866162 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| SCHEMBL5307820 | 0.94 | CYP1A2 (0.68) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Maleic Acid SCHEMBL8865839 | 0.86 | CYP1A2 (0.69) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL8865851 | 0.86 | CYP1A2 (0.69) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Maleic Acid SCHEMBL8865998 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Fumaric Acid SCHEMBL8866014 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Remacemide SCHEMBL7266094 | 0.84 | CYP3A4 (0.86) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Remacemide SCHEMBL7266326 | 0.84 | CYP3A4 (0.86) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Remacemide SCHEMBL31270066 | 0.84 | CYP3A4 (0.86) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 | |
| Maleic Acid SCHEMBL8866421 | 0.83 | CYP3A4 (0.64) | CYP1A2CYP3A4RECQLMAPK1ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605916-A | Arylalkyl-amines having anticonvulsant and neuroprotective properties | ASTRA AB (SE) | 1997-02-25 | — | — | US | disclosed |
| US-5539120-A | Arylalkyl-amines having anticonvulsant and neuroprotective properties | AGENCE SPATIALE EUROPEENNE (FR) | 1996-07-23 | — | — | US | disclosed |
| EP-0356035-B1 | Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties | ASTRA AB (SE) | 1996-03-13 | — | — | EP | disclosed |
| US-5430044-A | Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties | FISONS CORPORATION (GB) | 1995-07-04 | — | — | US | disclosed |
| EP-0648489-A1 | Arylalkylamides having neuroprotective properties | FISONS CORPORATION (US) | 1995-04-19 | — | — | EP | disclosed |
| EP-0648745-A1 | Arylalkylamine having anticonvulsant and neuroprotective properties | Astra Aktiebolag (SE) | 1995-04-19 | — | — | EP | disclosed |
| US-5331007-A | Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties | FISONS CORPORATION (US) | 1994-07-19 | — | — | US | disclosed |
| WO-1991011995-A1 | ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1991-08-22 | — | — | WO | disclosed |
| EP-0356035-A2 | Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties | Astra Aktiebolag (SE) | 1990-02-28 | — | — | EP | disclosed |