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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 7/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | ATM | Q13315 | 3/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | PGR | P06401 | 2/20 | 0.63 |
| ▸ | AR | P10275 | 2/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213690 | 0.95 | ESR1 (0.69) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| Maleic Acid SCHEMBL11242848 | 0.92 | ESR1 (0.52) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| Maleic Acid SCHEMBL11238886 | 0.91 | MAPT (0.61) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| SCHEMBL11229072 | 0.89 | SMN1; SMN2 (0.59) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| Maleic Acid SCHEMBL15913620 | 0.88 | ESR1 (0.66) | ESR1LMNASMN1; SMN2PGRAR | |
| Maleic Acid SCHEMBL11227348 | 0.88 | ESR1 (0.66) | ESR1LMNASMN1; SMN2PGRAR | |
| Maleic Acid SCHEMBL11224065 | 0.87 | ESR1 (0.64) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| SCHEMBL11209403 | 0.86 | ESR1 (0.57) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| SCHEMBL11207655 | 0.85 | MAPT (0.66) | ESR1LMNASMN1; SMN2ATMADORA3 | |
| SCHEMBL23037707 | 0.85 | ESR1 (0.76) | ESR1LMNASMN1; SMN2ATMADORA3 |
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-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | claimed |