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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 7/20 | 0.43 |
| ▸ | HTR2C known ✓ | P28335 | 7/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
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 SCHEMBL7779505 | 1.00 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| Fumaric Acid SCHEMBL5682025 | 1.00 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| Fumaric Acid SCHEMBL7779509 | 1.00 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| SCHEMBL1981725 | 0.89 | HTR2C (0.51) | SLC22A12HTR2AHTR2CHTR2BHTR1A | |
| Fumaric Acid SCHEMBL5678044 | 0.87 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CLMNANPSR1 | |
| Fumaric Acid SCHEMBL5678027 | 0.87 | SLC22A12 (0.45) | SLC22A12HTR2AHTR2CLMNANPSR1 | |
| Fumaric Acid SCHEMBL7772320 | 0.87 | LMNA (0.48) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| Fumaric Acid SCHEMBL7772315 | 0.87 | LMNA (0.48) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| Fumaric Acid SCHEMBL5678079 | 0.87 | LMNA (0.48) | SLC22A12HTR2AHTR2CHTR2BLMNA | |
| Fumaric Acid SCHEMBL5678069 | 0.87 | LMNA (0.48) | SLC22A12HTR2AHTR2CHTR2BLMNA |
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-1129078-B1 | INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY | VERNALIS RES LTD (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-6552062-B1 | For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity | VERNALIS RESEARCH LIMITED (GB) | 2003-04-22 | — | — | US | disclosed |