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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 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 | |
|---|---|---|---|---|
| SCHEMBL529011 | 0.86 | RAB9A (0.48) | RAB9ANPC1HDAC1HDAC6HDAC3 | |
| Maleic Acid SCHEMBL6948865 | 0.83 | RAB9A (0.41) | RAB9ANPC1HDAC1HDAC6HDAC3 | |
| SCHEMBL6952449 | 0.81 | MMP2 (0.45) | RAB9ANPC1HDAC1HDAC6HDAC3 | |
| SCHEMBL7656015 | 0.79 | ALDH1A1 (0.42) | RAB9ANPC1HDAC6MAPTALDH1A1 | |
| SCHEMBL6945281 | 0.79 | MAPT (0.47) | RAB9ANPC1HDAC1HDAC6MAPT | |
| SCHEMBL6943106 | 0.79 | RAB9A (0.50) | RAB9ANPC1HDAC1HDAC6HDAC3 | |
| SCHEMBL7649497 | 0.78 | NPC1 (0.41) | RAB9ANPC1HDAC6MAPTRNASEH1 | |
| SCHEMBL6953882 | 0.78 | RAB9A (0.49) | RAB9ANPC1HDAC1HDAC6MAPT | |
| SCHEMBL7653164 | 0.78 | ALDH1A1 (0.42) | RAB9ANPC1HDAC6MAPTALDH1A1 | |
| SCHEMBL7650918 | 0.78 | NPC1 (0.40) | RAB9ANPC1HDAC6MAPTRNASEH1 |
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-0936218-B1 | BENZIMIDAZOLE DERIVATIVES | MOCHIDA PHARM CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6387938-B1 | Benzimidazole derivatives | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-14 | — | — | US | disclosed |
| EP-0936218-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |