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 | |
|---|---|---|---|---|
| ▸ | PEPD | P12955 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.30 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL56637 | 0.89 | — | — | |
| SCHEMBL28066255 | 0.86 | PEPD (0.42) | PEPDTSHRTP53LMNACA4 | |
| Water SCHEMBL22418780 | 0.86 | PEPD (0.42) | PEPDTSHRTP53LMNACA4 | |
| SCHEMBL2301184 | 0.86 | PEPD (0.42) | PEPDTSHRTP53LMNACA4 | |
| SCHEMBL28217374 | 0.86 | PEPD (0.42) | PEPDTSHRTP53LMNACA4 | |
| SCHEMBL28263586 | 0.82 | HCAR2 (0.46) | PEPDTSHRTP53EGLN1EGLN3 | |
| SCHEMBL5928132 | 0.82 | HCAR2 (0.46) | PEPDTSHRTP53EGLN1EGLN3 | |
| SCHEMBL14856573 | 0.82 | PEPD (0.39) | PEPDTSHRTP53CA4ALDH1A1 | |
| SCHEMBL1885795 | 0.78 | PEPD (0.37) | PEPDTSHRTP53CA4ALDH1A1 | |
| SCHEMBL28523234 | 0.77 | PEPD (0.35) | PEPDTSHRTP53CA4ALDH1A1 |
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-1527078-A2 | NOVEL PHOSPHONOCARBOXYLIC ACID ESTERS | RHODIA CONSUMER SPECIALTIES LIMITED (GB) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004002994-A2 | NOVEL PHOSPHONOCARBOXYLIC ACID ESTERS | RHODIA CONSUMER SPECIALITIES LIMITED (GB) | 2004-01-08 | — | — | WO | disclosed |