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 | 0.33 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.33 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 3/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
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 SCHEMBL9048480 | 0.93 | ADRA1A (0.41) | ADRA1AGSK3BHTR3AHTR4MMP8 | |
| SCHEMBL9049190 | 0.79 | HTR3A (0.43) | ADRA1AHTR3AADRA2AADRA2BADRA2C | |
| Fumaric Acid SCHEMBL9049525 | 0.74 | HTR3A (0.43) | ADRA1AHTR3AADRA2AADRA2BADRA2C | |
| SCHEMBL9049193 | 0.71 | HTR3A (0.53) | ADRA1AHTR3AADRA2AADRA2BADRA2C | |
| SCHEMBL7011484 | 0.69 | NPC1 (0.50) | ADRA1AHTR3AMMP8MMP3ADRA2A | |
| SCHEMBL6852872 | 0.69 | KDM2B (0.47) | — | |
| SCHEMBL7616142 | 0.68 | HTR3A (0.45) | HTR3AHTR4OPRM1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL7326258 | 0.67 | ADRA1A (0.43) | ADRA1AHTR3AADRA2AADRA2BADRA2C | |
| Fumaric Acid SCHEMBL9049535 | 0.67 | HTR3A (0.52) | ADRA1AHTR3AADRA2AADRA2BADRA2C | |
| Fumaric Acid SCHEMBL7330519 | 0.67 | SMN1; SMN2 (0.49) | ADRA1ASMN1; SMN2 |
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 |