Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.75 |
| ▸ | TP53 | P04637 | 2/20 | 0.75 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.75 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.75 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.40 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.40 |
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 SCHEMBL18586002 | 1.00 | TSHR (0.75) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL4386695 | 0.96 | TSHR (0.69) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL10401872 | 0.96 | TSHR (0.69) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL2046432 | 0.87 | TSHR (1.00) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL2046433 | 0.87 | TSHR (1.00) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL2046430 | 0.87 | TSHR (1.00) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL6875 | 0.87 | TSHR (1.00) | TSHRTP53EGLN1EGLN3GAA | |
| Maleic Acid SCHEMBL20487516 | 0.87 | TSHR (1.00) | TSHRTP53EGLN1EGLN3GAA | |
| Fumaric Acid SCHEMBL3998225 | 0.87 | — | — | |
| Fumaric Acid SCHEMBL1331192 | 0.87 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344620-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037166-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-03-09 | — | — | WO | disclosed |
| US-4639498-A | ORGANOBORON POLYMERIC CATALYST | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1987-01-27 | — | — | US | disclosed |
| US-4638092-A | POLYMERIZATION INIATOR; INCREASED STABILITY IN OXYGEN ATMOSPHERE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1987-01-20 | — | — | US | disclosed |