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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28545963 | 0.94 | HSP90AA1 (0.40) | HSP90AA1OXER1TSHRSIRT1 | |
| SCHEMBL28780216 | 0.72 | TYR (0.36) | CYSLTR2CYSLTR1TSHR | |
| Acetic Acid SCHEMBL28167102 | 0.71 | HSP90AA1 (0.57) | HSP90AA1SRD5A1SRD5A2SLC1A3SLC1A2 | |
| SCHEMBL6758782 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL235556 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL31711756 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL6760396 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL167384 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL6759460 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 | |
| SCHEMBL1797126 | 0.70 | PNMT (0.42) | CYSLTR2CYSLTR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112358399-B | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-112358399-A | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-02-12 | — | — | CN | disclosed |