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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 16/20 | 0.62 |
| ▸ | ADRA1A known ✓ | P35348 | 16/20 | 0.62 |
| ▸ | ADRA1B known ✓ | P35368 | 16/20 | 0.62 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.58 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.58 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.58 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL7682138 | 1.00 | ADRA1D (0.62) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7682614 | 0.93 | ADRA1D (0.71) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7681613 | 0.93 | ADRA1D (0.71) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7685883 | 0.81 | ADRA1D (0.56) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7684347 | 0.81 | ADRA1D (0.56) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7465866 | 0.81 | ADRA1D (0.74) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7473669 | 0.80 | ADRA1D (0.87) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7685834 | 0.79 | ADRA1D (0.65) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7685829 | 0.79 | ADRA1D (0.65) | ADRA1DADRA1AADRA1BHTR1ADRD2 | |
| SCHEMBL7679467 | 0.79 | ADRA1D (0.77) | ADRA1DADRA1AADRA1BHTR1ADRD2 |
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-6353002-B2 | DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 2002-03-05 | — | — | US | disclosed |
| US-20010008903-A1 | Therapeutic agents | BIRCH ALAN MARTIN (GB) | 2001-07-19 | — | — | US | disclosed |
| US-6201004-B1 | CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 2001-03-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010008903-A1 | Therapeutic agents | GPR119, SNCA, HTR2B | ADRA1D 105/4885ADRA1A 162/4885ADRA1B 53/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.