Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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 | 5/20 | 0.50 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
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 SCHEMBL10363327 | 1.00 | CYP2D6 (0.54) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Fumaric Acid SCHEMBL10363331 | 1.00 | CYP2D6 (0.54) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| SCHEMBL10786534 | 0.93 | CYP2D6 (0.58) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| SCHEMBL10364314 | 0.93 | CYP2D6 (0.58) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Fumaric Acid SCHEMBL10729106 | 0.88 | AR (0.43) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Maleic Acid SCHEMBL10729093 | 0.88 | AR (0.43) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Fumaric Acid SCHEMBL10729100 | 0.88 | AR (0.43) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Maleic Acid SCHEMBL10750716 | 0.87 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Fumaric Acid SCHEMBL10750733 | 0.87 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BADRB2 | |
| Fumaric Acid SCHEMBL10750739 | 0.87 | CYP2D6 (0.59) | CYP2D6CASRITGB3ITGA2BADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221788-B1 | OCULOSELECTIVE BETA-BLOCKERS AND OPHTHALMIC FORMULATIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1990-05-23 | — | — | EP | disclosed |
| 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 |