Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | 9/20 | 0.51 |
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.51 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.48 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.45 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 4/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311964 | 0.92 | MAPT (0.57) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7319524 | 0.82 | CASR (0.60) | ADRB2ADRB1CYP2D6ADRB3SLC6A2 | |
| SCHEMBL11197660 | 0.81 | MAPT (0.64) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7308129 | 0.81 | MAPT (0.53) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7313353 | 0.81 | MAPT (0.55) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7314332 | 0.80 | ADRB2 (0.46) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7302638 | 0.79 | ALDH1A1 (0.60) | ADRB2ADRB1KMT2ACYP2D6HTR1A | |
| SCHEMBL11507651 | 0.79 | MAPT (0.61) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7310963 | 0.78 | MAPT (0.56) | ADRB2ADRB1MAPTMEN1KMT2A | |
| SCHEMBL7317641 | 0.77 | ADRB2 (0.67) | ADRB2ADRB1CYP2D6HTR1AHTR2B |
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 |