Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL10926982 | 1.00 | NPC1 (0.40) | NPC1ALDH1A1LMNAKMT2AL3MBTL1 | |
| SCHEMBL10992292 | 0.93 | ALDH1A1 (0.44) | NPC1ALDH1A1LMNAKMT2AL3MBTL1 | |
| SCHEMBL4781509 | 0.82 | ALDH1A1 (0.43) | NPC1ALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL10992668 | 0.78 | MAPT (0.50) | NPC1ALDH1A1LMNAKMT2AMAPT | |
| Fumaric Acid SCHEMBL10926005 | 0.77 | L3MBTL1 (0.42) | NPC1ALDH1A1LMNAKMT2AL3MBTL1 | |
| Maleic Acid SCHEMBL10926000 | 0.77 | L3MBTL1 (0.42) | NPC1ALDH1A1LMNAKMT2AL3MBTL1 | |
| SCHEMBL10925925 | 0.77 | MAPT (0.41) | NPC1LMNAKMT2AMAPTTSHR | |
| SCHEMBL10927176 | 0.75 | LTA4H (0.41) | NPC1LMNAKMT2AMAPTTSHR | |
| SCHEMBL10922342 | 0.73 | LTA4H (0.39) | NPC1KMT2AMAPTTSHRMEN1 | |
| SCHEMBL10927504 | 0.72 | SMN1; SMN2 (0.40) | NPC1ALDH1A1LMNAKMT2AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0189080-A2 | (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1986-07-30 | — | — | EP | disclosed |
| US-4562186-A | HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-12-31 | — | — | US | disclosed |