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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 3/20 | 0.79 |
| ▸ | NOS3 | P29474 | 2/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9054584 | 0.89 | NOS1 (0.87) | NOS1NOS3NOS2KMT2ANPC1 | |
| SCHEMBL6280369 | 0.89 | NOS1 (1.00) | NOS1NOS3NOS2KMT2AMEN1 | |
| Iodide SCHEMBL9053048 | 0.87 | NOS1 (0.96) | NOS1NOS3NOS2KMT2AMEN1 | |
| Propyne SCHEMBL9046697 | 0.81 | NOS1 (0.84) | NOS1NOS3NOS2 | |
| SCHEMBL27355025 | 0.78 | NOS1 (0.68) | NOS1NOS3NOS2 | |
| SCHEMBL7081205 | 0.77 | NOS1 (0.66) | NOS1NOS3NOS2KMT2ANPC1 | |
| Iodide SCHEMBL6961526 | 0.77 | NOS1 (0.66) | NOS1NOS3NOS2 | |
| SCHEMBL4628340 | 0.76 | NOS1 (0.73) | NOS1NOS3NOS2NPC1RAB9A | |
| Fumaric Acid SCHEMBL6961202 | 0.76 | DAO (0.52) | NOS1KMT2ANPC1PKMHPGD | |
| SCHEMBL4409794 | 0.76 | NOS1 (0.74) | NOS1NOS3NOS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | disclosed |