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 | 0.50 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.50 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.50 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.46 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.46 |
| ▸ | CHRNG | P07510 | 2/20 | 0.46 |
| ▸ | CHRND | Q07001 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 SCHEMBL6971475 | 1.00 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6972042 | 0.92 | KDM4E (0.50) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6959098 | 0.91 | KDM4E (0.47) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6959085 | 0.91 | KDM4E (0.47) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6972494 | 0.91 | KDM4E (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6972490 | 0.91 | KDM4E (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6968824 | 0.90 | CHRNB4 (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6972206 | 0.90 | CHRNB4 (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6968822 | 0.90 | CHRNB4 (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 | |
| Fumaric Acid SCHEMBL6972214 | 0.90 | CHRNB4 (0.51) | CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3 |
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 6 patents. 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 |
| US-5723477-A | CENTRAL NERVOUS SYSTEM OR AUTONOMIC NERVOUS SYSTEM, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS OR DRUG ABUSE | SIBIA NEUROSCIENCES, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5705512-A | COGNITION ACTIVATORS USING PYRROLIDINE PYRIDINE | SIBIA NEUROSCIENCES, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5703100-A | PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS | SIBIA NEUROSCIENCES, INC. (US) | 1997-12-30 | — | — | US | disclosed |
| US-5677459-A | PYRIDINE COMPOUNDS | SIBIA NEUROSCIENCES, INC. (US) | 1997-10-14 | — | — | US | disclosed |
| US-5594011-A | Modulators of acetylcholine receptors | SIBIA NEUROSCIENCES, INC. (US) | 1997-01-14 | — | — | US | disclosed |