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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.46 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.45 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL11246596 | 0.93 | CYP2D6 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| SCHEMBL11246600 | 0.93 | CYP2D6 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| Maleic Acid SCHEMBL11575619 | 0.88 | KMT2A (0.53) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| SCHEMBL11353613 | 0.84 | ADRB2 (0.52) | CYP2D6HTR7MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL11456005 | 0.80 | ADRB2 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| SCHEMBL11244639 | 0.80 | ADRB2 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| SCHEMBL11244640 | 0.80 | ADRB2 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| SCHEMBL11573996 | 0.80 | ADRB2 (0.60) | CYP2D6HTR7MAPTMAPK1L3MBTL1 | |
| Maleic Acid SCHEMBL11128865 | 0.77 | CYP2D6 (0.52) | CYP2D6SMN1; SMN2BLMADRB2ADRB1 | |
| Fumaric Acid SCHEMBL11098227 | 0.76 | CYP2D6 (0.57) | CYP2D6SMN1; SMN2BLMMAPK1LMNA |
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-0005142-A1 | Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-11-14 | — | — | EP | disclosed |