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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | BPTF | Q12830 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PANK3 | Q9H999 | 6/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 SCHEMBL27501218 | 0.94 | BPTF (0.65) | BPTFCYP1A2LMNAHTTKDM4E | |
| Fumaric Acid SCHEMBL27601353 | 0.92 | BPTF (0.74) | BPTFCYP1A2LMNAHTTKDM4E | |
| SCHEMBL6360151 | 0.87 | BPTF (0.80) | BPTFCYP1A2LMNAHTTKMT2A | |
| SCHEMBL5238778 | 0.84 | BPTF (0.87) | BPTFCYP1A2LMNAHTTKDM4E | |
| Hydrochloric Acid SCHEMBL9219094 | 0.83 | BPTF (0.84) | BPTFCYP1A2LMNAHTTKDM4E | |
| SCHEMBL6354020 | 0.80 | BPTF (0.84) | BPTFCYP1A2LMNAHTTKDM4E | |
| SCHEMBL181761 | 0.77 | BPTF (1.00) | BPTFCYP1A2LMNAHTTKDM4E | |
| Fumaric Acid SCHEMBL27563609 | 0.76 | CHRNB2 (0.65) | BPTFCYP1A2LMNAHTTKMT2A | |
| Hydrochloric Acid SCHEMBL4818062 | 0.76 | BPTF (0.96) | BPTFCYP1A2LMNAHTTKDM4E | |
| Hydrochloric Acid SCHEMBL9309714 | 0.76 | BPTF (0.96) | BPTFCYP1A2LMNAHTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | CN | disclosed |