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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.52 |
| ▸ | HTR3A | P46098 | 8/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.52 |
| ▸ | HTR3B | O95264 | 4/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL843326 | 0.94 | CHRNA7 (0.58) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL5917964 | 0.94 | CHRNA7 (0.58) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6850104 | 0.94 | CHRNA7 (0.58) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6009278 | 0.89 | HTR3A (0.64) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL5917918 | 0.89 | HTR3A (0.64) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL6008560 | 0.88 | HTR3A (0.63) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL843393 | 0.84 | CHRNA7 (0.58) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL843929 | 0.84 | CHRNA7 (0.57) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL844055 | 0.83 | CHRNA7 (0.56) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL843491 | 0.82 | CHRNA7 (0.58) | CHRNA7HTR3AHTR3EHTR3BHTR3D |
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-1432707-B1 | AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN CO LLC (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20050234092-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | PFIZER INC | 2005-10-20 | — | — | US | disclosed |
| US-20050222196-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | PFIZER INC. | 2005-10-06 | — | — | US | disclosed |
| US-6911543-B2 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | PFIZER INC. (US) | 2005-06-28 | — | — | US | disclosed |
| US-20030153595-A1 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | PHARMACIA & UPJOHN COMPANY | 2003-08-14 | — | — | 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 (3 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-20050234092-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | UGT2B7, CYP3A7, UGT1A7 | KCNH2 533/4885CHRNA7 5/4885HTR3A 783/4885 |
| US-20030153595-A1 | Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease | MALT1, TPMT, ABCB1 | KCNH2 1667/4885CHRNA7 1401/4885HTR3A 2224/4885 |
| US-20050222196-A1 | Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease | UGT2B7, CYP3A7, UGT1A7 | KCNH2 533/4885CHRNA7 5/4885HTR3A 783/4885 |
“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.