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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 6/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL748372 | 0.92 | KCNH2 (0.53) | CHRNA7KCNH2DGAT1P2RX3P2RX2 | |
| Trifluoroacetic Acid SCHEMBL747090 | 0.79 | CHRNA7 (0.51) | CHRNA7KCNH2DGAT1CYP3A4TTK | |
| Trifluoroacetic Acid SCHEMBL744720 | 0.78 | CHRNA7 (0.47) | CHRNA7KCNH2DGAT1CYP3A4 | |
| SCHEMBL747024 | 0.77 | P2RX3 (0.36) | DGAT1P2RX3P2RX2CYP3A4TTK | |
| SCHEMBL744341 | 0.77 | CHRNA7 (0.49) | CHRNA7KCNH2SLC6A2SLC6A3 | |
| SCHEMBL2484828 | 0.77 | CHRNA7 (0.49) | CHRNA7KCNH2SLC6A2SLC6A3 | |
| SCHEMBL2484827 | 0.77 | CHRNA7 (0.49) | CHRNA7KCNH2SLC6A2SLC6A3 | |
| SCHEMBL746894 | 0.77 | CHRNA7 (0.57) | CHRNA7KCNH2SOS1SLC6A2SLC6A3 | |
| SCHEMBL16136701 | 0.76 | CHRNA7 (0.50) | CHRNA7KCNH2P2RX3P2RX2OPRK1 | |
| SCHEMBL744858 | 0.76 | KCNH2 (0.56) | CHRNA7KCNH2DGAT1SOS1SLC6A2 |
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 708/4885SLC6A2 2602/4885CHRNA7 2776/4885 |
| US-20100305089-A1 | Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives | MALT1, BMP2, ALKBH2 | KCNH2 708/4885SLC6A2 2602/4885CHRNA7 2776/4885 |
“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.