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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 9/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1020880 | 0.94 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2GRM5HTT | |
| SCHEMBL1022170 | 0.84 | KDM4E (0.47) | NPC1RAB9ASMN1; SMN2GRM5MAPT | |
| SCHEMBL1023391 | 0.82 | GRM5 (0.40) | NPC1RAB9ASMN1; SMN2GRM5MAPT | |
| SCHEMBL1022423 | 0.81 | KDR (0.46) | NPC1RAB9ASMN1; SMN2GRM5MAPT | |
| SCHEMBL1021484 | 0.76 | GRM5 (0.54) | GRM5 | |
| SCHEMBL1023811 | 0.74 | GRM5 (0.41) | GRM5 | |
| Fumaric Acid SCHEMBL1026727 | 0.71 | KDM4E (0.36) | HTTKDM4ELMNAALDH1A1 | |
| SCHEMBL1450676 | 0.70 | GRM5 (0.44) | GRM5 | |
| SCHEMBL1449572 | 0.69 | GRM5 (0.41) | GRM5 | |
| SCHEMBL3548034 | 0.66 | CHRNA7 (0.47) | GRM5 |
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-1863819-B1 | DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2011-01-12 | — | — | EP | disclosed |