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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 6/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CCNC | P24863 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
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 SCHEMBL931053 | 1.00 | CHRNA7 (0.55) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| SCHEMBL928627 | 0.91 | CHRNA7 (0.65) | CHRNA7HTR3ACHRNB4CHRNA3NPC1 | |
| Fumaric Acid SCHEMBL1794467 | 0.90 | CHRNA7 (0.51) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| Fumaric Acid SCHEMBL1794462 | 0.90 | CHRNA7 (0.51) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| Fumaric Acid SCHEMBL1792876 | 0.82 | CHRNA7 (0.82) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| Fumaric Acid SCHEMBL1792880 | 0.82 | CHRNA7 (0.82) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| Fumaric Acid SCHEMBL931051 | 0.82 | CCNC (0.41) | CHRNA7HTR3ACHRNB4CHRNA3CCNC | |
| Fumaric Acid SCHEMBL15663039 | 0.81 | CHRNA7 (0.81) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| Fumaric Acid SCHEMBL15663041 | 0.81 | CHRNA7 (0.81) | CHRNA7HTR3ACHRNB4CHRNA3 | |
| SCHEMBL930238 | 0.80 | CHRNA7 (0.57) | CHRNA7HTR3ACHRNB4CHRNA3NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |
| 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 | CHRNA7 1/4885HTR3A 114/4885CHRNB4 20/4885 |
| 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 | CHRNA7 1/4885HTR3A 38/4885CHRNB4 15/4885 |
“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.