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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL10926000 | 1.00 | L3MBTL1 (0.42) | L3MBTL1THRBKMT2ARAB9ANPC1 | |
| SCHEMBL10923767 | 0.92 | THRB (0.44) | L3MBTL1THRBKMT2ARAB9ANPC1 | |
| Fumaric Acid SCHEMBL10926982 | 0.77 | NPC1 (0.40) | L3MBTL1KMT2ARAB9ANPC1MEN1 | |
| SCHEMBL10932515 | 0.76 | THRB (0.43) | L3MBTL1THRBKMT2ARAB9ANPC1 | |
| SCHEMBL10925251 | 0.74 | THRB (0.44) | L3MBTL1THRBKMT2ARAB9ANPC1 | |
| SCHEMBL10924399 | 0.73 | THRB (0.46) | THRBKMT2ARAB9ANPC1MEN1 | |
| SCHEMBL10992292 | 0.68 | ALDH1A1 (0.44) | L3MBTL1KMT2ARAB9ANPC1MEN1 | |
| Maleic Acid SCHEMBL10927359 | 0.67 | THRB (0.51) | THRBKMT2ARAB9ANPC1MEN1 | |
| Fumaric Acid SCHEMBL10927363 | 0.67 | THRB (0.51) | THRBKMT2ARAB9ANPC1MEN1 | |
| SCHEMBL10924892 | 0.67 | LMNA (0.51) | THRBKMT2ARAB9ANPC1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4562187-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-12-31 | — | — | US | claimed |
| EP-0189771-A3 | (ISOXAZOL-3-YL)ARYLMETHANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-10-08 | — | — | EP | disclosed |
| EP-0189771-A2 | (Isoxazol-3-yl)arylmethanones, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-08-06 | — | — | EP | disclosed |
| US-4562187-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-12-31 | — | — | US | disclosed |