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 | |
|---|---|---|---|---|
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.48 |
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.47 |
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.47 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.47 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.47 |
| ▸ | CACNA1F known ✓ | O60840 | 3/20 | 0.46 |
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.46 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.46 |
| ▸ | CACNA1D known ✓ | Q01668 | 3/20 | 0.46 |
| ▸ | CACNA1S known ✓ | Q13698 | 3/20 | 0.46 |
| ▸ | CACNA1C known ✓ | Q13936 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7757442 | 0.95 | CYP3A4 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7755948 | 0.83 | SLC6A3 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL7545277 | 0.82 | SLC6A3 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL9147119 | 0.79 | HTR2A (0.49) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL9142630 | 0.78 | MEN1 (0.50) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL8615736 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL4760958 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL8616378 | 0.78 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL8611925 | 0.78 | SLC6A3 (0.48) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL8867248 | 0.77 | MEN1 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 |
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-5747493-A | N-/DIPHENYLALKYL/-PIPERAZINYL-2-HYDROXYPROPYLAMINES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1998-05-05 | — | — | US | disclosed |