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 | 7/20 | 0.41 |
| ▸ | HTR2C known ✓ | P28335 | 7/20 | 0.41 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 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 SCHEMBL5682016 | 1.00 | HTR2A (0.41) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL5682180 | 0.91 | HTR2A (0.37) | HTR2AHTR2CSLC22A12KMOLMNA | |
| Fumaric Acid SCHEMBL5682166 | 0.91 | HTR2A (0.37) | HTR2AHTR2CSLC22A12KMOLMNA | |
| SCHEMBL905951 | 0.89 | HTR2A (0.49) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL5682009 | 0.82 | ADORA2A (0.51) | SLC22A12KMO | |
| SCHEMBL905693 | 0.79 | ADORA2A (0.45) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL27339949 | 0.79 | HTR2A (0.47) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959943 | 0.79 | HTR2A (0.47) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959951 | 0.79 | HTR2A (0.47) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL4845606 | 0.78 | HTR2A (0.47) | HTR2AHTR2CHTR2BSLC22A12KMO |
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 |