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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.63 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.63 |
| ▸ | ACHE | P22303 | 13/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | BLM | P54132 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | G6PD | P11413 | 1/20 | 0.65 |
| ▸ | GMNN | O75496 | 1/20 | 0.65 |
| ▸ | THRB | P10828 | 1/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | BCHE | P06276 | 8/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
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 SCHEMBL9213570 | 1.00 | ACHE (0.69) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10460214 | 0.94 | ACHE (0.76) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9216035 | 0.94 | ACHE (0.76) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10460216 | 0.94 | ACHE (0.76) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL9208733 | 0.88 | KDM4E (0.72) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| Fumaric Acid SCHEMBL9208758 | 0.88 | KDM4E (0.72) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9536731 | 0.88 | KDM4E (0.72) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL9204860 | 0.88 | ACHE (0.79) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| Physostigmine SCHEMBL11326339 | 0.84 | ACHE (0.88) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA | |
| Physostigmine SCHEMBL11326354 | 0.84 | ACHE (0.88) | ACHEKDM4EALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0389984-B1 | Carbonate derivatives of Eseroline, a process for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1995-06-21 | — | — | EP | disclosed |
| US-4971992-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-11-20 | — | — | US | disclosed |
| EP-0389984-A1 | Carbonate derivatives of Eseroline, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-10-03 | — | — | EP | disclosed |