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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.40 |
| ▸ | HTR3B | O95264 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 3/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL747091 | 0.92 | CHRNA7 (0.53) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL745601 | 0.81 | CHRNA7 (0.52) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL1542650 | 0.79 | CHRNA7 (0.55) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL1542643 | 0.79 | CHRNA7 (0.55) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL748439 | 0.78 | HTR3E (0.39) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL990090 | 0.77 | CHRNA7 (0.42) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL990089 | 0.77 | CHRNA7 (0.42) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL746279 | 0.77 | CHRNA7 (0.54) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Trifluoroacetic Acid SCHEMBL747038 | 0.75 | CHRNA7 (0.42) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL1177616 | 0.75 | SLC6A2 (0.44) | CHRNA7HTR3EHTR3BHTR3AHTR3D |
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-2431368-B1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBVIE BAHAMAS LTD (BS) | 2014-08-27 | — | — | EP | disclosed |
| EP-2431368-A1 | CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives | Abbott Laboratories (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-2018380-B1 | Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LAB (US) | 2011-10-19 | — | — | EP | disclosed |
| US-7872017-B2 | Fused bicycloheterocycle substituted azabicyclic alkane derivatives | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | US | disclosed |
| US-20080045539-A1 | FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | ABBVIE INC. | 2008-02-21 | — | — | 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-20080045539-A1 | FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES | MALT1, BMP2, ALKBH2 | KCNH2 708/4885CHRM3 3350/4885SLC6A4 3130/4885 |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | MALT1, BMP2, ALKBH2 | KCNH2 708/4885CHRM3 3350/4885SLC6A4 3130/4885 |
“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.