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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 4/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 SCHEMBL10729100 | 1.00 | AR (0.43) | ARADRB2ADRB1ADRB3ITGB3 | |
| Fumaric Acid SCHEMBL10729106 | 1.00 | AR (0.43) | ARADRB2ADRB1ADRB3ITGB3 | |
| Maleic Acid SCHEMBL10363327 | 0.88 | CYP2D6 (0.54) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| Fumaric Acid SCHEMBL10363329 | 0.88 | CYP2D6 (0.54) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| Fumaric Acid SCHEMBL10363331 | 0.88 | CYP2D6 (0.54) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| SCHEMBL10786534 | 0.80 | CYP2D6 (0.58) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| SCHEMBL10364314 | 0.80 | CYP2D6 (0.58) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| SCHEMBL10750728 | 0.74 | CYP2D6 (0.55) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| Maleic Acid SCHEMBL10750716 | 0.74 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3ITGB3ITGA2B | |
| Fumaric Acid SCHEMBL10750733 | 0.74 | CYP2D6 (0.59) | ADRB2ADRB1ADRB3ITGB3ITGA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221788-A1 | Oculoselective beta-blockers and ophthalmic formulations containing them | MERCK & CO. INC. (US) | 1987-05-13 | — | — | EP | disclosed |
| US-4665094-A | GLAUCOMA | MERCK & CO., INC. (US) | 1987-05-12 | — | — | US | disclosed |