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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.40 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 5/20 | 0.40 |
| ▸ | HTR1B | P28222 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11209001 | 0.76 | DRD2 (0.45) | HTR1DHTR1BDRD2DRD1DRD4 | |
| Hydrochloric Acid SCHEMBL11206341 | 0.75 | DRD2 (0.44) | HTR1DHTR1BDRD2DRD1DRD4 | |
| Maleic Acid SCHEMBL11206829 | 0.75 | DRD2 (0.41) | HTR1DHTR1BDRD2DRD1DRD4 | |
| SCHEMBL11203478 | 0.69 | HTR1A (0.55) | DRD2DRD4DRD3HTR1A | |
| Maleic Acid SCHEMBL11269870 | 0.66 | ALDH1A1 (0.43) | DRD2DRD4DRD3ALDH1A1HTR1A | |
| SCHEMBL11203540 | 0.65 | PLAU (0.42) | DRD2DRD3ALDH1A1 | |
| SCHEMBL11208636 | 0.64 | SIGMAR1 (0.34) | HTR1DHTR1BDRD2DRD4DRD3 | |
| SCHEMBL12431981 | 0.64 | MAPT (0.35) | ALDH1A1 | |
| Maleic Acid SCHEMBL11280479 | 0.64 | ALDH1A1 (0.56) | HTR1DHTR1BDRD2DRD4DRD3 | |
| SCHEMBL11266620 | 0.64 | DRD2 (0.49) | HTR1DHTR1BDRD2DRD1DRD4 |
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-4322540-A | PROLACTIN INHIBITOR | ELI LILLY AND COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| US-4322430-A | Amino-substituted 4,5,6,7-tetrahydro-1H (or 2H)-indazoles | ELI LILLY AND COMPANY (US) | 1982-03-30 | — | — | US | disclosed |
| US-4276300-A | PROLACTIN INHIBITORS | ELI LILLY AND COMPANY (US) | 1981-06-30 | — | — | US | disclosed |
| EP-0013789-A1 | Amino-substituted 4,5,6,7-tetrahydro-1H (or 2H)-indazoles, their preparation and pharmaceutical compositions containing them | ELI LILLY AND COMPANY (US) | 1980-08-06 | — | — | EP | disclosed |