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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL5998881 | 1.00 | CYP3A4 (0.46) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Maleic Acid SCHEMBL5997356 | 0.96 | CYP3A4 (0.49) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Fumaric Acid SCHEMBL5506467 | 0.96 | CYP3A4 (0.49) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Maleic Acid SCHEMBL5997829 | 0.83 | CYP3A4 (0.46) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Fumaric Acid SCHEMBL5500804 | 0.83 | CYP3A4 (0.46) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Fumaric Acid SCHEMBL5503719 | 0.81 | HSD17B10 (0.48) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Maleic Acid SCHEMBL5998595 | 0.81 | HSD17B10 (0.48) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL5500127 | 0.80 | OPRM1 (0.55) | CYP3A4HSD17B10OPRM1OPRD1OPRK1 | |
| SCHEMBL5498080 | 0.79 | MAPT (0.49) | CYP3A4HSD17B10KDM4EOPRM1OPRD1 | |
| SCHEMBL5496840 | 0.75 | OPRM1 (0.48) | CYP3A4HSD17B10OPRM1OPRD1OPRK1 |
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-1789050-A1 | NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Warner-Lambert Company LLC (US) | 2007-05-30 | — | — | EP | claimed |
| WO-2006016278-A1 | NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2006-02-16 | — | — | WO | claimed |
| US-20060030566-A1 | Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders | WARNER-LAMBERT COMPANY, LLC | 2006-02-09 | — | — | US | claimed |
| EP-1789050-A1 | NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Warner-Lambert Company LLC (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006016278-A1 | NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2006-02-16 | — | — | WO | disclosed |
| US-20060030566-A1 | Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders | WARNER-LAMBERT COMPANY, LLC | 2006-02-09 | — | — | 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-20060030566-A1 | Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders | SLC6A2, SLC18A2, SLC6A3 | CYP3A4 1077/4885HSD17B10 1405/4885KDM4E 1317/4885 |
“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.