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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 11/20 | 0.63 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL2820257 | 1.00 | KCNH2 (0.63) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL2821273 | 0.94 | KCNH2 (0.69) | KCNH2TOP2ASLC2A1 | |
| Trifluoroacetic Acid SCHEMBL2823372 | 0.94 | KCNH2 (0.64) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL2819372 | 0.94 | KCNH2 (0.68) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL2824637 | 0.94 | KCNH2 (0.68) | KCNH2TOP2ASLC2A1 | |
| Benzoic Acid SCHEMBL2821422 | 0.92 | KCNH2 (0.61) | KCNH2TOP2ASLC2A1 | |
| SCHEMBL2819430 | 0.89 | KCNH2 (0.65) | KCNH2TOP2ASLC2A1 | |
| Hydrochloric Acid SCHEMBL2823525 | 0.88 | KCNH2 (0.64) | KCNH2TOP2ASLC2A1 | |
| Fumaric Acid SCHEMBL3617598 | 0.86 | KCNH2 (0.58) | KCNH2TOP2ASLC2A1 | |
| Fumaric Acid SCHEMBL3617596 | 0.86 | KCNH2 (0.58) | KCNH2TOP2ASLC2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041145-B1 | AZATRICYCLIC COMPOUNDS AND THEIR USE | GLAXO GROUP LTD (GB) | 2010-10-27 | — | — | EP | disclosed |
| US-20100004230-A1 | AZATRICYCLIC COMPOUNDS AND THEIR USE | GLAXO GROUP LIMITED (GB) | 2010-01-07 | — | — | 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 (1 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-20100004230-A1 | AZATRICYCLIC COMPOUNDS AND THEIR USE | AADAC, AZI2, NNMT | KCNH2 2592/4885TOP2A 9/4885SLC2A1 4507/4885 |
“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.