Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 6/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.59 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.59 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.59 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.59 |
| ▸ | CHRNG | P07510 | 2/20 | 0.59 |
| ▸ | CHRND | Q07001 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6972915 | 0.89 | CHRNB4 (0.72) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6960621 | 0.89 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6960624 | 0.89 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL3099334 | 0.87 | CHRNA3 (0.79) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL194945 | 0.87 | CHRNA3 (0.79) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL15253516 | 0.87 | CHRNA3 (0.79) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Altinicline SCHEMBL3099328 | 0.87 | CHRNA3 (0.79) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6972261 | 0.86 | CHRNA3 (0.54) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| SCHEMBL6813669 | 0.83 | CHRNA3 (0.64) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 | |
| Fumaric Acid SCHEMBL6968574 | 0.80 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNB2CHRNA1CHRNA4 |
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-0739342-B1 | PYRIDINE MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-08-27 | — | — | EP | disclosed |