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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 17/20 | 0.47 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 16/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 12/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 2/20 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL2239387 | 1.00 | KCNH2 (0.47) | KCNH2OPRK1OPRM1OPRD1FFAR4 | |
| SCHEMBL2235778 | 0.93 | OPRK1 (0.50) | KCNH2OPRK1OPRM1OPRD1 | |
| Fumaric Acid SCHEMBL1177830 | 0.86 | KCNH2 (0.55) | KCNH2OPRK1OPRM1HRH1CCR3 | |
| Fumaric Acid SCHEMBL1177584 | 0.86 | KCNH2 (0.43) | KCNH2OPRK1OPRM1OPRD1FFAR4 | |
| Fumaric Acid SCHEMBL2235697 | 0.85 | KCNH2 (0.41) | KCNH2OPRK1OPRM1OPRD1FFAR4 | |
| Fumaric Acid SCHEMBL2235710 | 0.85 | KCNH2 (0.41) | KCNH2OPRK1OPRM1OPRD1FFAR4 | |
| Fumaric Acid SCHEMBL2236792 | 0.85 | KCNH2 (0.61) | KCNH2OPRK1OPRM1OPRD1 | |
| Fumaric Acid SCHEMBL2236799 | 0.85 | KCNH2 (0.61) | KCNH2OPRK1OPRM1OPRD1 | |
| Fumaric Acid SCHEMBL1177837 | 0.84 | KCNH2 (0.44) | KCNH2OPRK1OPRM1OPRD1HRH1 | |
| Fumaric Acid SCHEMBL1177845 | 0.83 | KCNH2 (0.42) | KCNH2OPRK1OPRM1OPRD1HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7989470-B2 | 3,8-substituted 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2011-08-02 | — | — | US | disclosed |
| US-20100190821-A1 | 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2010-07-29 | — | — | US | disclosed |
| US-7713990-B2 | 3,8-substituted 8-AZA-bicyclo[3.2.1]octane derivatives and their use as monomine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2010-05-11 | — | — | US | disclosed |
| US-20080004252-A1 | 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors | NEUROSEARCH A/S (DK) | 2008-01-03 | — | — | US | disclosed |
| EP-1838705-A2 | 3,8-SUBSTITUTED 8-AZA-BICYCLO [3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006075004-A2 | 3, 8 - SUBSTITUTED 8-AZA-BICYCLO[3.2.1] OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2006-07-20 | — | — | WO | 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-20100190821-A1 | 3,8-SUBSTITUTED 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | SLC18A2, SLC18A3, SLC6A2 | KCNH2 1080/4885HRH1 569/4885OPRK1 185/4885 |
| US-20080004252-A1 | 3,8-Substituted 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monomine Neurotransmitter Re-Uptake Inhibitors | SLC18A2, SLC18A3, SLC6A2 | KCNH2 1080/4885HRH1 569/4885OPRK1 185/4885 |
“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.