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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.66 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.66 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.56 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 6/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.66 |
| ▸ | LMNA | P02545 | 4/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.66 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.66 |
| ▸ | SHBG | P04278 | 2/20 | 0.66 |
| ▸ | PGR | P06401 | 2/20 | 0.66 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.66 |
| ▸ | AR | P10275 | 2/20 | 0.66 |
| ▸ | SNCA | P37840 | 2/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.66 |
| ▸ | UGT1A10 | Q9HAW8 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL15913620 | 1.00 | ESR1 (0.66) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| SCHEMBL11209602 | 0.92 | ESR1 (0.77) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| SCHEMBL11207296 | 0.92 | ESR1 (0.77) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL11211148 | 0.91 | ESR1 (0.76) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL11237062 | 0.91 | ESR1 (0.76) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Maleic Acid SCHEMBL11236307 | 0.90 | ESR1 (0.63) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| SCHEMBL11212861 | 0.89 | ESR1 (0.70) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Maleic Acid SCHEMBL11229073 | 0.88 | ESR1 (0.63) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Nitric Acid SCHEMBL11212160 | 0.88 | ESR1 (0.67) | ESR1ESR2LMNACYP2C9CYP2C19 | |
| Maleic Acid SCHEMBL11242848 | 0.86 | ESR1 (0.52) | ESR1ESR2LMNACYP2C9CYP2C19 |
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 |