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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 SCHEMBL9149192 | 1.00 | BCHE (0.50) | BCHEACHEHDAC1HDAC8L3MBTL1 | |
| SCHEMBL9149764 | 0.95 | BCHE (0.55) | BCHEACHEHDAC1HDAC8L3MBTL1 | |
| Fumaric Acid SCHEMBL9150679 | 0.87 | ACHE (0.60) | BCHEACHE | |
| Fumaric Acid SCHEMBL9150672 | 0.87 | ACHE (0.60) | BCHEACHE | |
| Fumaric Acid SCHEMBL9152970 | 0.83 | L3MBTL1 (0.64) | BCHEACHEHDAC1HDAC8L3MBTL1 | |
| Fumaric Acid SCHEMBL9153281 | 0.83 | L3MBTL1 (0.64) | BCHEACHEHDAC1HDAC8L3MBTL1 | |
| SCHEMBL9151835 | 0.82 | ACHE (0.66) | BCHEACHE | |
| SCHEMBL9154155 | 0.78 | L3MBTL1 (0.70) | BCHEACHEHDAC1HDAC8L3MBTL1 | |
| SCHEMBL27771184 | 0.77 | L3MBTL1 (0.54) | HDAC1HDAC8L3MBTL1 | |
| SCHEMBL5321633 | 0.76 | L3MBTL1 (0.62) | BCHEACHEHDAC1HDAC8L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5434179-A | Enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-07-18 | — | — | US | claimed |
| EP-0401715-B1 | Aminoketone compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | EP | claimed |
| EP-0401715-A2 | Aminoketone compounds | Takeda Chemical Industries, Ltd. (JP) | 1990-12-12 | — | — | EP | claimed |
| US-5434179-A | Enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-07-18 | — | — | US | disclosed |
| EP-0401715-B1 | Aminoketone compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | EP | disclosed |
| EP-0401715-A2 | Aminoketone compounds | Takeda Chemical Industries, Ltd. (JP) | 1990-12-12 | — | — | EP | disclosed |