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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 12/20 | 0.62 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.62 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.62 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.62 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.62 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.62 |
| ▸ | ADRB2 known ✓ | P07550 | 11/20 | 0.60 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.62 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | HRH2 | P25021 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.62 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL6008953 | 0.92 | CHRM3 (0.72) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| SCHEMBL16341546 | 0.92 | CHRM3 (0.72) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| Desfesoterodine SCHEMBL14696972 | 0.91 | CHRM2 (0.62) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| SCHEMBL14838136 | 0.86 | CHRM3 (0.56) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| Tolterodine SCHEMBL1260791 | 0.86 | CHRM3 (0.84) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| Fumaric Acid SCHEMBL5178957 | 0.85 | CHRM3 (0.64) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| Fumaric Acid SCHEMBL5178943 | 0.85 | CHRM3 (0.64) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| Fumaric Acid SCHEMBL5178945 | 0.85 | CHRM3 (0.64) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| SCHEMBL4622468 | 0.84 | CHRM2 (0.66) | CHRM3LMNACHRM2CHRM1CHRM5 | |
| SCHEMBL15156357 | 0.84 | CHRM3 (0.67) | CHRM3LMNACHRM2CHRM1CHRM5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017137955-A1 | NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL | CELESTIS PHARMACEUTICALS PVT. LTD. (IN) | 2017-08-17 | — | — | WO | disclosed |