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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.51 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.51 |
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.51 |
| ▸ | HTR2B known ✓ | P41595 | 3/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.51 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.51 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.51 |
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 SCHEMBL9809239 | 1.00 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Fumaric Acid SCHEMBL9809233 | 1.00 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| SCHEMBL1152082 | 0.93 | LMNA (0.58) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| SCHEMBL1152080 | 0.93 | LMNA (0.58) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL9809269 | 0.92 | LMNA (0.57) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL9809271 | 0.92 | LMNA (0.57) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Fumaric Acid SCHEMBL9809223 | 0.92 | LMNA (0.56) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Fumaric Acid SCHEMBL9809225 | 0.92 | LMNA (0.56) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| Fumaric Acid SCHEMBL9809226 | 0.92 | LMNA (0.56) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 | |
| SCHEMBL1151945 | 0.86 | LMNA (0.52) | ALDH1A1LMNACYP3A4HIF1ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0187639-B1 | NOVEL PIPERAZINE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AS ACTIVE INGREDIENT | KANEBO, LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |
| US-4703048-A | Novel 1-benzhydryl-4-cinnamylpiperazine derivatives, and pharmaceutical compositions comprising said compounds as active ingredient for treating a cerebrovascular disease | KANEBO LTD. (JP) | 1987-10-27 | — | — | US | disclosed |
| EP-0187639-A1 | Novel piperazine derivatives, processes for production thereof, and pharmaceutical compositions comprising said compounds as active ingredient | KANEBO, LTD. (JP) | 1986-07-16 | — | — | EP | disclosed |