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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 6/20 | 0.40 |
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
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 SCHEMBL8867070 | 1.00 | PTGER1 (0.44) | PTGER1PTGER3PTGER2IDO1TDO2 | |
| Fumaric Acid SCHEMBL8867077 | 0.76 | SLC6A2 (0.47) | PTGER1PTGER3PTGER2CYP2C19SLC6A2 | |
| Fumaric Acid SCHEMBL8865834 | 0.74 | TAAR1 (0.48) | PTGER1PTGER3PTGER2CYP2C9CYP2C19 | |
| SCHEMBL17802383 | 0.74 | PTGER1 (0.48) | PTGER1PTGER3PTGER2IDO1TDO2 | |
| SCHEMBL17802384 | 0.74 | PTGER1 (0.48) | PTGER1PTGER3PTGER2IDO1TDO2 | |
| SCHEMBL13870614 | 0.71 | ADRB2 (0.56) | IDO1TDO2CYP2C9CYP2C19SLC6A2 | |
| Maleic Acid SCHEMBL28488253 | 0.71 | HCAR2 (0.58) | HCAR2ALDH1A1KDM4EMAPTLMNA | |
| Maleic Acid SCHEMBL10435705 | 0.71 | KIF11 (0.43) | PTGER1PTGER3PTGER2HCAR2CYP1A2 | |
| Fumaric Acid SCHEMBL9055116 | 0.71 | TBXA2R (0.49) | PTGER1PTGER3PTGER2HCAR2NOS2 | |
| SCHEMBL1168170 | 0.71 | ADRA2A (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1 |
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 |