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 | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 SCHEMBL9767806 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HTR2CPRMT5WDR77STAT3 | |
| SCHEMBL9196015 | 0.93 | ALDH1A1 (0.52) | ALDH1A1HTR2CPRMT5WDR77STAT3 | |
| SCHEMBL11445874 | 0.79 | ALDH1A1 (0.64) | ALDH1A1LMNANOTUMUSP2NPC1 | |
| SCHEMBL9767815 | 0.78 | MAPT (0.46) | ALDH1A1HTR2CPRMT5WDR77STAT3 | |
| Fumaric Acid SCHEMBL10620950 | 0.73 | KDM4E (0.51) | ALDH1A1POLBUSP2NPC1TP53 | |
| Maleic Acid SCHEMBL10620945 | 0.73 | KDM4E (0.51) | ALDH1A1POLBUSP2NPC1TP53 | |
| SCHEMBL26103577 | 0.71 | SMN1; SMN2 (0.48) | ALDH1A1HTR2CSTAT3POLBALOX15 | |
| SCHEMBL9767604 | 0.71 | ALOX15 (0.51) | ALDH1A1HTR2CSTAT3KDM4CPOLB | |
| SCHEMBL10546524 | 0.70 | L3MBTL1 (0.55) | POLBLMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL9193973 | 0.70 | ROCK1 (0.50) | ALDH1A1HTR2CSTAT3POLBALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037835-A | Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0428878-A2 | Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-05-29 | — | — | EP | disclosed |
| US-4992448-A | Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-02-12 | — | — | US | disclosed |