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 | 1/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | HSPA8 known ✓ | P11142 | 1/20 | 0.45 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.45 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.73 |
| ▸ | HPGD | P15428 | 5/20 | 0.73 |
| ▸ | TSHR | P16473 | 5/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364629 | 0.85 | HSD17B10 (1.00) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| SCHEMBL54380 | 0.85 | HSD17B10 (1.00) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| Acetic Acid SCHEMBL28402484 | 0.76 | HSD17B10 (0.70) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| Pentachlorophenol SCHEMBL10548213 | 0.75 | HSD17B10 (0.78) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| Pentachlorophenol SCHEMBL20812 | 0.75 | TSHR (0.62) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| Acetic Acid SCHEMBL27562641 | 0.74 | HSD17B10 (0.67) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| SCHEMBL68191 | 0.74 | HSD17B10 (0.77) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| SCHEMBL28339783 | 0.74 | HPGD (0.53) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| SCHEMBL30632048 | 0.73 | AKR1C2 (0.57) | HSD17B10HPGDTSHRMAPK1CASP1 | |
| SCHEMBL1229004 | 0.73 | DPP4 (0.56) | HSD17B10HPGDTSHRMAPK1CASP1 |
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-111257489-A | Method for analyzing volatile phenolic compounds in water based on ultrasonic-assisted in-situ bubbling and simultaneous derivatization-dispersion liquid-liquid microextraction | 浙江工业大学 | 2020-06-09 | — | — | CN | disclosed |