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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL6207256 | 1.00 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL10898338 | 0.97 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL9816554 | 0.97 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL27314777 | 0.97 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL28611778 | 0.97 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL5421614 | 0.97 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Biphenyl SCHEMBL4074902 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| Glyoxylate SCHEMBL11146860 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EHDAC8MEN1 | |
| Biphenyl SCHEMBL28534601 | 0.82 | MAPT (0.50) | ALDH1A1MAPTKDM4EHCAR2HDAC2 | |
| SCHEMBL14124718 | 0.82 | MAPT (0.64) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |