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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 15/20 | 0.82 |
| ▸ | HTR2C known ✓ | P28335 | 15/20 | 0.82 |
| ▸ | HTR2B known ✓ | P41595 | 10/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 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 SCHEMBL6603600 | 1.00 | HTR2A (0.82) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL906124 | 0.91 | HTR2A (1.00) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL6602352 | 0.82 | HTR2A (0.78) | HTR2AHTR2CHTR2BCYP3A4HIF1A | |
| SCHEMBL6602349 | 0.82 | HTR2A (0.78) | HTR2AHTR2CHTR2BCYP3A4HIF1A | |
| Fumaric Acid SCHEMBL6602840 | 0.81 | HTR2A (0.80) | HTR2AHTR2CHTR2B | |
| Fumaric Acid SCHEMBL6602847 | 0.81 | HTR2A (0.80) | HTR2AHTR2CHTR2B | |
| Fumaric Acid SCHEMBL6602929 | 0.81 | HTR2A (0.80) | HTR2AHTR2CHTR2B | |
| Fumaric Acid SCHEMBL6602921 | 0.81 | HTR2A (0.80) | HTR2AHTR2CHTR2B | |
| Fumaric Acid SCHEMBL27353869 | 0.75 | HTR2C (0.62) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL906126 | 0.75 | HTR2A (0.70) | HTR2AHTR2CHTR2BL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109809-B1 | PYRROLOQUINOLINES FOR TREATMENT OF OBESITY | CEREBRUS PHARM LTD (GB) | 2004-11-17 | — | — | EP | disclosed |
| US-6365598-B1 | FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA | VERNALIS RESEARCH LIMITED (GB) | 2002-04-02 | — | — | US | disclosed |