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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 12/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 10/20 | 0.44 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 12/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 SCHEMBL6490629 | 1.00 | NOS2 (0.47) | NOS2SLC6A4SLC6A2CYP2D6TAS2R14 | |
| SCHEMBL6490913 | 0.92 | NOS2 (0.48) | NOS2SLC6A4SLC6A2CYP2D6SLC6A3 | |
| Fumaric Acid SCHEMBL6490777 | 0.86 | NOS2 (0.61) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL6490771 | 0.86 | NOS2 (0.61) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL6504713 | 0.85 | NOS2 (0.61) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL6504718 | 0.85 | NOS2 (0.61) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL6493344 | 0.85 | NOS2 (0.48) | NOS2SLC6A4SLC6A2CYP2D6 | |
| Fumaric Acid SCHEMBL6493341 | 0.85 | NOS2 (0.48) | NOS2SLC6A4SLC6A2CYP2D6 | |
| SCHEMBL6501101 | 0.77 | NOS2 (0.63) | NOS2SLC6A4SLC6A2CYP2D6KCNH2 | |
| Oxalic Acid SCHEMBL6491750 | 0.76 | NOS2 (0.72) | NOS2SLC6A4SLC6A2CYP2D6SLC6A3 |
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-6887871-B2 | Use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2005-05-03 | — | — | US | disclosed |
| EP-1263711-B1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-12-15 | — | — | EP | disclosed |
| US-20030158185-A1 | Novel use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2003-08-21 | — | — | 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-20030158185-A1 | Novel use of phenylheteroakylamine derivatives | NOS1, XDH, NOS2 | SLC6A4 2468/4885SLC6A2 1776/4885KCNH2 1221/4885 |
“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.