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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 4/20 | 0.44 |
| ▸ | HTR2B known ✓ | P41595 | 4/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 SCHEMBL10416135 | 1.00 | ACHE (0.49) | ACHEL3MBTL1THRBTNFNOD2 | |
| Fumaric Acid SCHEMBL10415373 | 0.88 | GAA (0.54) | ACHEL3MBTL1THRBDRD2 | |
| Fumaric Acid SCHEMBL10415374 | 0.88 | GAA (0.54) | ACHEL3MBTL1THRBDRD2 | |
| Fumaric Acid SCHEMBL10415652 | 0.86 | ACHE (0.52) | ACHEL3MBTL1THRB | |
| Fumaric Acid SCHEMBL10415651 | 0.86 | ACHE (0.52) | ACHEL3MBTL1THRB | |
| Fumaric Acid SCHEMBL10414739 | 0.86 | MAPT (0.55) | ACHEL3MBTL1THRBSIGMAR1DRD2 | |
| Fumaric Acid SCHEMBL10414741 | 0.86 | MAPT (0.55) | ACHEL3MBTL1THRBSIGMAR1DRD2 | |
| Fumaric Acid SCHEMBL10414135 | 0.84 | MEN1 (0.52) | ACHEL3MBTL1 | |
| Fumaric Acid SCHEMBL10414137 | 0.84 | MEN1 (0.52) | ACHEL3MBTL1 | |
| Fumaric Acid SCHEMBL10415380 | 0.83 | CCR3 (0.52) | ACHEL3MBTL1SIGMAR1HTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4945096-A | Treatment of a depressive state with 2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivates | SYNTHELABO (FR) | 1990-07-31 | — | — | US | disclosed |
| US-4885302-A | 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their application in therapy | SYNTHELABO, 58, RUE DE LA GLACIERE - 75013 PARIS | 1989-12-05 | — | — | US | disclosed |