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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.54 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.52 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.52 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.50 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11746346 | 0.93 | HTR2A (0.61) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Duoperone SCHEMBL121485 | 0.90 | FPR2 (0.64) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Duoperone SCHEMBL121486 | 0.90 | FPR2 (0.64) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL9677296 | 0.89 | LMNA (0.54) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL9677289 | 0.89 | LMNA (0.54) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11749117 | 0.85 | DRD2 (0.71) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL11743885 | 0.85 | DRD2 (0.73) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL11750190 | 0.85 | DRD2 (0.70) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11747251 | 0.84 | DRD2 (0.57) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 | |
| Water SCHEMBL11746588 | 0.84 | HTR2A (0.48) | CYP2D6HTR2AKDM4ECYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4021552-A | TRANQUILIZERS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-05-03 | — | — | US | disclosed |