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 | |
|---|---|---|---|---|
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 7/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 7/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 5/20 | 0.49 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8195293 | 0.93 | CNR1 (0.54) | CNR1KITFLT4KDRFLT3 | |
| Bromide SCHEMBL7083406 | 0.73 | SAE1 (0.54) | CNR1FLT4KDRFLT3MEN1 | |
| SCHEMBL8195295 | 0.72 | CNR1 (0.49) | CNR1KITFLT4KDRFLT3 | |
| SCHEMBL11054644 | 0.70 | CNR1 (0.74) | CNR1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4105004 | 0.70 | CNR1 (0.74) | CNR1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL11048619 | 0.70 | MEN1 (0.76) | CNR1HDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL4741253 | 0.70 | MEN1 (0.76) | CNR1HDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL1029813 | 0.69 | ALDH1A1 (0.74) | MEN1KMT2AMAPTALDH1A1THRB | |
| SCHEMBL1029814 | 0.69 | ALDH1A1 (0.74) | MEN1KMT2AMAPTALDH1A1THRB | |
| SCHEMBL9053766 | 0.69 | LMNA (0.66) | CNR1MEN1KMT2AMAPTALDH1A1 |
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 4 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 |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |