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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 6/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 6/20 | 0.47 |
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.45 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGFR | P43088 | 1/20 | 0.42 |
| ▸ | PTGIR | P43119 | 1/20 | 0.42 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17802363 | 0.86 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL17802351 | 0.86 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL7738495 | 0.83 | HCAR2 (0.53) | CYP3A4CYP2D6LMNAPOLBMAPT | |
| Fumaric Acid SCHEMBL8865834 | 0.78 | TAAR1 (0.48) | SLC6A4CYP2D6PTGER1PTGER3PTGER2 | |
| SCHEMBL10678366 | 0.77 | BCAT2 (0.47) | SLC6A2SLC6A4SLC6A3LMNAALDH1A1 | |
| Maleic Acid SCHEMBL8867070 | 0.76 | PTGER1 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL8867085 | 0.76 | PTGER1 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL9444866 | 0.75 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7925442 | 0.75 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL9055116 | 0.75 | TBXA2R (0.49) | PTGER1PTGER3PTGER2NOS2TBXA2R |
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 6 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 |
| US-5430044-A | Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties | FISONS CORPORATION (GB) | 1995-07-04 | — | — | US | disclosed |
| EP-0648745-A1 | Arylalkylamine having anticonvulsant and neuroprotective properties | Astra Aktiebolag (SE) | 1995-04-19 | — | — | EP | disclosed |
| EP-0648489-A1 | Arylalkylamides having neuroprotective properties | FISONS CORPORATION (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1991011995-A1 | ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1991-08-22 | — | — | WO | disclosed |