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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGMT | P16455 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
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 SCHEMBL7641574 | 1.00 | HCAR2 (0.36) | HCAR2POLBKDM4EBLMNPSR1 | |
| Fumaric Acid SCHEMBL7641588 | 0.89 | HCAR2 (0.35) | HCAR2POLBKDM4ESMN1; SMN2HTT | |
| Fumaric Acid SCHEMBL7641601 | 0.89 | HCAR2 (0.35) | HCAR2POLBKDM4ESMN1; SMN2HTT | |
| Fumaric Acid SCHEMBL7641596 | 0.73 | POLB (0.35) | HCAR2POLBKDM4EBLMNPSR1 | |
| Fumaric Acid SCHEMBL7641587 | 0.73 | POLB (0.35) | HCAR2POLBKDM4EBLMNPSR1 | |
| Fumaric Acid SCHEMBL7813557 | 0.73 | ADRA1D (0.40) | — | |
| Fumaric Acid SCHEMBL7813556 | 0.73 | ADRA1D (0.40) | — | |
| Maleic Acid SCHEMBL2138427 | 0.68 | KDM4E (0.33) | KDM4EBLMNPSR1CYP3A4TSHR | |
| SCHEMBL7641579 | 0.68 | PKM (0.32) | HCAR2POLBKDM4ESMN1; SMN2HTT | |
| SCHEMBL28550939 | 0.67 | CYP11B1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6465486-B1 | ALPHA2 ADRENOCEPTOR MODULATORS; HYPERTENSION, GLAUCOMA, SEXUAL DYSFUNCTION, DEPRESSION, ATTENTION DEFICIT HYPERACTIVITY DISORDER, PARKINSONISM, NEED FOR ANESTHESIA, CARDIAC ARRYTHMIA | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-10-15 | — | — | US | disclosed |