Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.43 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.43 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 SCHEMBL9681235 | 1.00 | KHK (0.44) | KHKKMT2AKDM4EADRB2ADRA2A | |
| SCHEMBL9763384 | 0.91 | KHK (0.48) | KHKKMT2AKDM4EMEN1LMNA | |
| Fumaric Acid SCHEMBL9680687 | 0.89 | KDM4E (0.54) | KHKKMT2AKDM4EADRB2ADRA2A | |
| Fumaric Acid SCHEMBL9680682 | 0.89 | KDM4E (0.54) | KHKKMT2AKDM4EADRB2ADRA2A | |
| SCHEMBL9680665 | 0.81 | MAPK1 (0.46) | KMT2AKDM4EMEN1LMNAMAPK1 | |
| SCHEMBL9682518 | 0.80 | SMN1; SMN2 (0.53) | KMT2AKDM4EADRB2MEN1LMNA | |
| SCHEMBL9683244 | 0.80 | SIGMAR1 (0.54) | LMNAMAPK1PMP22ALDH1A1CYP1A2 | |
| SCHEMBL9680624 | 0.79 | CYP1A2 (0.46) | KHKKMT2AKDM4EADRB2ADRA2A | |
| SCHEMBL9763064 | 0.79 | KHK (0.51) | KHKKMT2AKDM4EMEN1LMNA | |
| Hydrochloric Acid SCHEMBL9681380 | 0.79 | SIGMAR1 (0.53) | LMNAMAPK1PMP22ALDH1A1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5134236-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-07-28 | — | — | US | disclosed |
| US-4999356-A | Analgesics, antidepressants, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0302423-A2 | 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-02-08 | — | — | EP | disclosed |