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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL695886 | 0.84 | — | — | |
| Fluoride SCHEMBL30114826 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7971687 | 0.82 | CES2 (0.50) | DAOCES2CES1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL497550 | 0.82 | — | — | |
| SCHEMBL14691145 | 0.82 | — | — | |
| Iodide SCHEMBL9038645 | 0.82 | — | — | |
| Bromide SCHEMBL30114872 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL5223817 | 0.81 | DAO (0.50) | DAOCES2CES1KMT2AMEN1 | |
| SCHEMBL11246434 | 0.79 | MAPT (0.66) | DAOHCAR2CES2CES1KMT2A | |
| SCHEMBL11329160 | 0.79 | MAPT (0.66) | DAOHCAR2CES2CES1KMT2A |
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-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |