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 | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP1 | P07148 | 1/20 | 0.34 |
| ▸ | FABP2 | P12104 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 SCHEMBL929015 | 1.00 | HRH3 (0.38) | HRH3CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Fumaric Acid SCHEMBL929016 | 1.00 | HRH3 (0.38) | HRH3CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Fumaric Acid SCHEMBL929018 | 1.00 | HRH3 (0.38) | HRH3CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL930265 | 0.92 | HRH3 (0.44) | HRH3CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL930264 | 0.92 | HRH3 (0.44) | HRH3CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL1795535 | 0.84 | HCRTR1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4HCRTR1 | |
| SCHEMBL928982 | 0.77 | HCRTR1 (0.39) | HCRTR1HCRTR2KMT2AALDH1A1MEN1 | |
| Trifluoroacetic Acid SCHEMBL928347 | 0.77 | CHRNB2 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL928349 | 0.77 | CHRNB2 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL929372 | 0.77 | CHRNB2 (0.61) | CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | HRH3 319/4885KMT2A 1656/4885MEN1 3019/4885 |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | CHRNA7, CHRNA2, CHRNA6 | HRH3 976/4885KMT2A 1571/4885MEN1 4343/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.