Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.36 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9048273 | 0.95 | HTR3A (0.43) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050450 | 0.93 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9048282 | 0.88 | HTR3A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050456 | 0.86 | HTR3A (0.43) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9049337 | 0.80 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL6271791 | 0.80 | HTR3A (0.48) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9052105 | 0.79 | HTR3A (0.49) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9050462 | 0.79 | HTR3A (0.52) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| Fumaric Acid SCHEMBL9049538 | 0.76 | CYP2C19 (0.50) | HTR3AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL9050442 | 0.76 | MTNR1A (0.36) | MTNR1AMTNR1BMEN1KMT2ACYP1A2 |
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 |