Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 5/20 | 0.43 |
| ▸ | NOS1 known ✓ | P29475 | 4/20 | 0.43 |
| ▸ | NOS3 known ✓ | P29474 | 3/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1886382 | 0.78 | GRIK1 (0.50) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL5084412 | 0.78 | GRIK1 (0.46) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL2730539 | 0.77 | GRIK1 (0.68) | GRIK1GRIK2SLC1A2SLC1A1NOS2 | |
| SCHEMBL38735 | 0.77 | GRIK1 (0.68) | GRIK1GRIK2SLC1A2SLC1A1NOS2 | |
| SCHEMBL14605594 | 0.77 | OPRM1 (0.48) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL16326700 | 0.77 | GRIK1 (0.52) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL1814169 | 0.77 | GRIK1 (0.52) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL19596576 | 0.77 | OPRM1 (0.48) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| SCHEMBL21929716 | 0.77 | GRIK1 (0.52) | GRIK1GRIK2SLC1A2SLC1A1DPP7 | |
| Acetic Acid SCHEMBL8646645 | 0.77 | GRIK1 (0.52) | GRIK1GRIK2SLC1A2SLC1A1GPR84 |
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-1282394-A1 | USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT | L'OREAL (FR) | 2003-02-12 | — | — | EP | disclosed |
| WO-2001087253-A1 | USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT | L'OREAL (FR) | 2001-11-22 | — | — | WO | disclosed |