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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.39 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL1783138 | 0.95 | ALKBH1 (0.48) | ALKBH1BCAT2NPC1RAB9AKCNQ3 | |
| SCHEMBL2063619 | 0.88 | ALKBH1 (0.50) | ALKBH1BCAT2NPC1RAB9AKCNQ3 | |
| Hydrochloric Acid SCHEMBL2063475 | 0.87 | ALKBH1 (0.49) | ALKBH1BCAT2NPC1RAB9AKCNQ3 | |
| SCHEMBL4085016 | 0.79 | HTR1F (0.50) | NPC1RAB9AKCNQ3KCNQ2P4HTM | |
| Hydrochloric Acid SCHEMBL4091202 | 0.78 | HTR1F (0.49) | NPC1RAB9AKCNQ3KCNQ2P4HTM | |
| SCHEMBL4084213 | 0.77 | KCNQ3 (0.49) | MAPTRAB9AKCNQ3KCNQ2P4HTM | |
| SCHEMBL4089385 | 0.77 | KMT2A (0.43) | ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4094577 | 0.76 | KMT2A (0.43) | ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4086359 | 0.76 | KCNQ3 (0.48) | MAPTRAB9AKCNQ3KCNQ2P4HTM | |
| SCHEMBL4090589 | 0.76 | KCNQ3 (0.56) | ALDH1A1MAPTNPC1RAB9AKCNQ3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118268-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | NEUROSEARCH A/S (DK) | 2011-05-19 | — | — | 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-20110118268-A1 | NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | CHRNA6, CHRNA2, CHRNA10 | KCNH2 613/4885ALKBH1 2314/4885ALDH1A1 760/4885 |
“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.