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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 16/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 14/20 | 0.52 |
| ▸ | KCNH2 known ✓ | Q12809 | 4/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.46 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.46 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.46 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.46 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 8/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
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 SCHEMBL5869220 | 1.00 | NOS2 (0.55) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL5869595 | 0.85 | NOS2 (0.55) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL5869456 | 0.85 | NOS2 (0.55) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL5869407 | 0.85 | NOS2 (0.55) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL5869200 | 0.82 | SLC6A4 (0.53) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL5869142 | 0.82 | SLC6A4 (0.53) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL5869330 | 0.80 | NOS2 (0.37) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL5869214 | 0.80 | NOS2 (0.37) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL5869233 | 0.80 | SLC6A2 (0.40) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL5869147 | 0.80 | SLC6A2 (0.42) | NOS2SLC6A2SLC6A4CYP2D6KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037932-B2 | Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors | ELI LILLY AND COMPANY (US) | 2006-05-02 | — | — | US | disclosed |
| EP-1397129-B1 | HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS | LILLY CO ELI (US) | 2005-11-16 | — | — | EP | disclosed |
| US-20040176435-A1 | Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors | ELI LILLY AND COMPANY | 2004-09-09 | — | — | 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-20040176435-A1 | Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors | ADRA2C, ADRB1, TPH1 | SLC6A2 5/4885SLC6A4 7/4885KCNH2 443/4885 |
“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.