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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.51 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.51 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.51 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.51 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.56 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | RARB | P10826 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | RARA | P10276 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | THRA | P10827 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | TACR2 | P21452 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1133495 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL3959914 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL9478972 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL9808869 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL9479954 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL6130141 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL13219975 | 0.92 | ESR1 (0.60) | CYSLTR2CYSLTR1ALDH1A1HTR2AS1PR1 | |
| SCHEMBL9324237 | 0.90 | ESR1 (0.57) | CYSLTR2CYSLTR1ALDH1A1RARBHTR2A | |
| SCHEMBL9805784 | 0.85 | RARB (0.56) | ALDH1A1RARBMEN1RARAMAPT | |
| SCHEMBL10333376 | 0.85 | RARB (0.56) | ALDH1A1RARBMEN1RARAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111978154-A | Preparation method of 4-octyl phenethyl alcohol | 南京康德祥医药科技有限公司 | 2020-11-24 | — | — | CN | disclosed |