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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 SCHEMBL9050460 | 0.93 | SIRT1 (0.40) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050462 | 0.87 | HTR3A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL16585577 | 0.81 | HTR3A (0.58) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050456 | 0.80 | HTR3A (0.43) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050450 | 0.74 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9049544 | 0.73 | HTR3A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9050466 | 0.73 | SIRT1 (0.36) | SIRT1NPSR1HTR6EIF2AK2MEN1 | |
| SCHEMBL7010628 | 0.73 | HTR3A (0.46) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9049337 | 0.73 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL6271791 | 0.73 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 |
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-0381422-B1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMA CO LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5496942-A | 5-HT3-RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5344927-A | 5-HT3 antagonist | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |
| EP-0381422-A1 | Tetrahydrobenzimidazole derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-08-08 | — | — | EP | disclosed |