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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | G6PD | P11413 | 1/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 14/20 | 0.48 |
| ▸ | BCHE | P06276 | 8/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
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 SCHEMBL9538223 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9541130 | 0.90 | ACHE (0.47) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL2463186 | 0.90 | ACHE (0.47) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL2463181 | 0.90 | ACHE (0.47) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Bromide SCHEMBL9538952 | 0.89 | ACHE (0.47) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9207697 | 0.85 | ACHE (0.50) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9207707 | 0.85 | ACHE (0.50) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Fumaric Acid SCHEMBL9540863 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Fumaric Acid SCHEMBL9540869 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9207689 | 0.84 | ACHE (0.51) | KDM4EALDH1A1SMN1; SMN2LMNABLM |
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-5187165-A | Eseroline derivatives; cholinergic agents; antidepressants | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-16 | — | — | US | disclosed |