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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 7/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.51 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.51 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.51 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 4/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
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 SCHEMBL6589239 | 1.00 | HTR1A (0.51) | HTR1ADRD3DRD2HRH1HTR2A | |
| Fumaric Acid SCHEMBL7899648 | 0.92 | HTR1A (0.50) | HTR1ADRD3DRD2HRH1HTR2A | |
| Maleic Acid SCHEMBL7899641 | 0.92 | HTR1A (0.50) | HTR1ADRD3DRD2HRH1HTR2A | |
| Hydrochloric Acid SCHEMBL6592530 | 0.87 | SLC6A2 (0.52) | HTR1ADRD3DRD2HRH1HTR2A | |
| SCHEMBL7899645 | 0.87 | HTR1A (0.50) | HTR1ADRD3DRD2HRH1HTR2A | |
| Fumaric Acid SCHEMBL6586487 | 0.86 | HTR1A (0.51) | HTR1ADRD3DRD2HRH1HTR2A | |
| Maleic Acid SCHEMBL6586481 | 0.86 | HTR1A (0.51) | HTR1ADRD3DRD2HRH1HTR2A | |
| Maleic Acid SCHEMBL7894095 | 0.83 | SLC6A2 (0.48) | HTR1ADRD3DRD2HRH1HTR2A | |
| Fumaric Acid SCHEMBL7894096 | 0.83 | SLC6A2 (0.48) | HTR1ADRD3DRD2HRH1HTR2A | |
| Hydrochloric Acid SCHEMBL6586710 | 0.78 | KCNH2 (0.53) | HRH3 |
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-0781766-B1 | HETEROCYCLIC DERIVATIVE AND MEDICINE | NIPPON SHINYAKU CO LTD (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-6191149-B1 | DRUG FOR CEREBROVASCULAR DISEASE | NIPPON SHINYAKU, CO., LTD. (JP) | 2001-02-20 | — | — | US | disclosed |
| US-5945426-A | PREVENT NEURONAL DEATH | NIPPON SHINYAKU CO., LTD. (JP) | 1999-08-31 | — | — | US | disclosed |
| EP-0781766-A1 | HETEROCYCLIC DERIVATIVE AND MEDICINE | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |