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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.38 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 7/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
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 SCHEMBL2704443 | 1.00 | HTR7 (0.42) | HTR7SMN1; SMN2FAAHHTR6HTR2C | |
| SCHEMBL410495 | 0.91 | CHKA (0.42) | HTR6HTR2CMCHR1KDM4EALDH1A1 | |
| SCHEMBL412446 | 0.76 | CHKA (0.50) | HTR6KDM4EALDH1A1MC4RMEN1 | |
| SCHEMBL412750 | 0.71 | CHRNB1 (0.49) | MC4RKMT2A | |
| SCHEMBL412721 | 0.69 | DRD4 (0.44) | HTR6KMT2A | |
| SCHEMBL412524 | 0.66 | ALDH1A1 (0.42) | SMN1; SMN2KDM4EALDH1A1MC4RMEN1 | |
| SCHEMBL7326492 | 0.61 | MCL1 (0.54) | MEN1MAPTKMT2A | |
| SCHEMBL7326486 | 0.61 | MCL1 (0.54) | MEN1MAPTKMT2A | |
| SCHEMBL30547807 | 0.60 | KDM4E (0.52) | SMN1; SMN2FAAHHTR6KDM4EALDH1A1 | |
| SCHEMBL3605056 | 0.60 | FAAH (0.74) | FAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-2448921-A1 | ARYL INDOLE DERIVATIVES | MSD K.K. (JP) | 2012-05-09 | — | — | EP | disclosed |
| WO-2010117085-A1 | ARYL INDOLE DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |