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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 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 SCHEMBL8650441 | 1.00 | LTA4H (0.38) | LTA4HEPHX2HTR2AFPR2MEN1 | |
| Maleic Acid SCHEMBL8650437 | 1.00 | LTA4H (0.38) | LTA4HEPHX2HTR2AFPR2MEN1 | |
| Maleic Acid SCHEMBL8650435 | 1.00 | LTA4H (0.38) | LTA4HEPHX2HTR2AFPR2MEN1 | |
| Maleic Acid SCHEMBL7337873 | 1.00 | LTA4H (0.38) | LTA4HEPHX2HTR2AFPR2MEN1 | |
| SCHEMBL7337058 | 0.90 | KDM1A (0.38) | LTA4HEPHX2HTR2AKDM1AMAOA | |
| SCHEMBL8653729 | 0.90 | KDM1A (0.38) | LTA4HEPHX2HTR2AKDM1AMAOA | |
| SCHEMBL7334192 | 0.90 | KDM1A (0.38) | LTA4HEPHX2HTR2AKDM1AMAOA | |
| SCHEMBL8650740 | 0.84 | KDM1A (0.46) | LTA4HKDM1AMAOA | |
| SCHEMBL8654440 | 0.84 | KDM1A (0.46) | LTA4HKDM1AMAOA | |
| SCHEMBL7330311 | 0.84 | KDM1A (0.46) | LTA4HKDM1AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711271-B1 | AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-07 | — | — | EP | disclosed |