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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.41 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.41 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.41 |
| ▸ | DRD1 known ✓ | P21728 | 2/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.41 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.41 |
| ▸ | MLNR known ✓ | O43193 | 1/20 | 0.41 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.41 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.41 |
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 SCHEMBL7002804 | 1.00 | BCHE (0.46) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| SCHEMBL6622174 | 0.94 | BCHE (0.45) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL6619772 | 0.89 | BCHE (0.47) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL6619768 | 0.89 | BCHE (0.47) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL7227367 | 0.87 | BCHE (0.50) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL7009266 | 0.87 | BCHE (0.50) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL6615862 | 0.85 | BCHE (0.44) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL6615858 | 0.85 | BCHE (0.44) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL7001483 | 0.84 | BCHE (0.48) | BCHECHRM2HTR1ACHRM1ADRA1A | |
| Fumaric Acid SCHEMBL7001479 | 0.84 | BCHE (0.48) | BCHECHRM2HTR1ACHRM1ADRA1A |
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-1123936-B1 | FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-12-10 | — | — | EP | disclosed |
| US-6627630-B1 | Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1243271-A1 | NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| EP-1123936-A1 | FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |