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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.61 |
| ▸ | DRD1 known ✓ | P21728 | 3/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.61 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.61 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.61 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.61 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.50 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | MTOR known ✓ | P42345 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
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 SCHEMBL11596650 | 1.00 | HTT (0.80) | HTTCYP3A4MAPTHPGDPOLB | |
| Pimethixene SCHEMBL301225 | 0.90 | HTT (1.00) | HTTCYP3A4MAPTHPGDPOLB | |
| Pimethixene SCHEMBL301226 | 0.90 | HTT (1.00) | HTTCYP3A4MAPTHPGDPOLB | |
| SCHEMBL11573964 | 0.90 | KCNH2 (0.76) | HTTCYP3A4MAPTHPGDPOLB | |
| SCHEMBL11575971 | 0.82 | SETD7 (0.76) | HTTCYP3A4MAPTHPGDPOLB | |
| SCHEMBL11575442 | 0.81 | SETD7 (0.60) | HTTCYP3A4MAPTHPGDPOLB | |
| Fumaric Acid SCHEMBL11574698 | 0.80 | CYP3A4 (0.76) | HTTCYP3A4MAPTHPGDPOLB | |
| Fumaric Acid SCHEMBL11574700 | 0.80 | CYP3A4 (0.76) | HTTCYP3A4MAPTHPGDPOLB | |
| Pimethixene SCHEMBL301596 | 0.78 | SETD7 (1.00) | HTTCYP3A4MAPTSETD7CHRM2 | |
| Pimethixene SCHEMBL29433731 | 0.78 | SETD7 (1.00) | HTTCYP3A4MAPTSETD7CHRM2 |
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-4086350-A | FLUORO, CHLORO AND CYANO SUBSTITUTED 4-(9-XANTHENYLIDENE, 9-THIOXANTHENYLIDENE OR 11(6H)-DIBENZO(B,E)OXEPINYLIDENE)-1-METHYL-PIPERIDINES | SMITHKLINE CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |