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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| Glutaral SCHEMBL7455889 | 0.94 | HIF1A (0.62) | HIF1ATSHRFAAHTRPV1FFAR3 | |
| Hexanal SCHEMBL28153745 | 0.89 | TSHR (0.71) | TSHRFAAHTRPV1MAPTLMNA | |
| Tridecanal SCHEMBL28596337 | 0.87 | TSHR (0.76) | TSHRFAAHTRPV1MAPTLMNA | |
| Octanal SCHEMBL8835004 | 0.87 | TSHR (0.76) | TSHRFAAHTRPV1MAPTLMNA | |
| Acetic Acid SCHEMBL27942741 | 0.87 | TSHR (0.48) | HIF1ATSHRFAAHTRPV1ALDH1A1 | |
| Acetic Acid SCHEMBL10379871 | 0.87 | FAAH (0.60) | TSHRFAAHTRPV1MAPTLMNA | |
| Nonanal SCHEMBL1989067 | 0.87 | TSHR (0.76) | TSHRFAAHTRPV1MAPTLMNA | |
| Undecanal SCHEMBL28641020 | 0.87 | TSHR (0.76) | TSHRFAAHTRPV1MAPTLMNA | |
| Hydrogen Peroxide SCHEMBL28274340 | 0.87 | HIF1A (0.69) | HIF1ATSHRFAAHTRPV1MAPT | |
| Octanal SCHEMBL28654686 | 0.85 | TSHR (0.73) | TSHRFAAHTRPV1MAPTLMNA |
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-114426520-A | Synthesis method of cycloheximide, selective ammonification hydrogenation catalyst of adipaldehyde and preparation method thereof | 中国石油化工股份有限公司 | 2022-05-03 | — | — | CN | disclosed |