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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 19/20 | 0.69 |
| ▸ | NQO2 | P16083 | 2/20 | 0.69 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.69 |
| ▸ | F10 | P00742 | 1/20 | 0.69 |
| ▸ | PLG | P00747 | 1/20 | 0.69 |
| ▸ | PLAT | P00750 | 1/20 | 0.69 |
| ▸ | PROC | P04070 | 1/20 | 0.69 |
| ▸ | HPN | P05981 | 1/20 | 0.69 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.69 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.69 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.69 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.69 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15413481 | 0.96 | F2 (0.73) | F2NQO2SLC22A2F10PLG | |
| Oxalic Acid SCHEMBL1602438 | 0.95 | F2 (0.71) | F2NQO2SLC22A2F10PLG | |
| Nitric Acid SCHEMBL17028813 | 0.93 | F2 (0.68) | F2NQO2SLC22A2F10PLG | |
| SCHEMBL506573 | 0.92 | F2 (0.80) | F2NQO2SLC22A2F10PLG | |
| Oxalic Acid SCHEMBL13740918 | 0.91 | F2 (0.78) | F2NQO2SLC22A2F10PLG | |
| SCHEMBL20211338 | 0.89 | F2 (0.76) | F2NQO2SLC22A2F10PLG | |
| Fumaric Acid SCHEMBL15415353 | 0.89 | NQO2 (0.76) | F2NQO2SLC22A2F10PLG | |
| SCHEMBL15744890 | 0.89 | F2 (0.67) | F2NQO2SLC22A2F10PLG | |
| SCHEMBL28046855 | 0.86 | F2 (0.91) | F2NQO2SLC22A2F10PLG | |
| SCHEMBL6779120 | 0.86 | NQO2 (0.71) | F2NQO2SLC22A2F10PLG |
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-2872500-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND ITS INTERMEDIATES THEREOF | Rao, Davuluri Ramamohan (IN) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009966-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND ITS INTERMEDIATES THEREOF | RAO DAVULURI RAMAMOHAN (IN) | 2014-01-16 | — | — | WO | disclosed |