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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 9/20 | 0.50 |
| ▸ | DRD2 known ✓ | P14416 | 5/20 | 0.44 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 6/20 | 0.50 |
| ▸ | DRD3 | P35462 | 7/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 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 SCHEMBL7899641 | 1.00 | HTR1A (0.50) | HTR1AHTR7DRD3DRD2HRH3 | |
| Fumaric Acid SCHEMBL6589246 | 0.92 | HTR1A (0.51) | HTR1AHTR7DRD3DRD2HRH3 | |
| Maleic Acid SCHEMBL6589239 | 0.92 | HTR1A (0.51) | HTR1AHTR7DRD3DRD2HRH3 | |
| SCHEMBL7899645 | 0.88 | HTR1A (0.50) | HTR1AHTR7DRD3DRD2HRH3 | |
| Hydrochloric Acid SCHEMBL6590818 | 0.79 | HRH3 (0.47) | HRH3 | |
| Hydrochloric Acid SCHEMBL6592530 | 0.78 | SLC6A2 (0.52) | HTR1AHTR7DRD3DRD2HRH3 | |
| Fumaric Acid SCHEMBL6586487 | 0.78 | HTR1A (0.51) | HTR1ADRD3DRD2HTR2AHRH1 | |
| Maleic Acid SCHEMBL6586481 | 0.78 | HTR1A (0.51) | HTR1ADRD3DRD2HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL6589578 | 0.78 | — | — | |
| Fumaric Acid SCHEMBL7894096 | 0.76 | SLC6A2 (0.48) | HTR1AHTR7DRD3DRD2HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |