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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 10/20 | 0.56 |
| ▸ | ADRB1 known ✓ | P08588 | 9/20 | 0.56 |
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.55 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.51 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 SCHEMBL7310590 | 1.00 | ADRB2 (0.56) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7314684 | 0.94 | ADRB2 (0.56) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7309393 | 0.90 | ADRB2 (0.54) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7310598 | 0.85 | ADRB2 (0.53) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7306021 | 0.83 | ADRB2 (0.54) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7315388 | 0.82 | ADRB2 (0.58) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7313756 | 0.81 | KMT2A (0.68) | ADRB2ADRB1KMT2AHTR1AADRA2C | |
| SCHEMBL11405623 | 0.80 | ADRB2 (0.60) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7309404 | 0.80 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL7307959 | 0.80 | ADRB2 (0.56) | ADRB2ADRB1ADRB3KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | US | disclosed |
| US-4171370-A | Phenoxy-amino-propanols | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-10-16 | — | — | US | disclosed |