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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5560163 | 0.89 | — | — | |
| Acetic Acid SCHEMBL27575689 | 0.75 | FFAR3 (0.35) | ALDH1A1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL10621091 | 0.73 | KDM4E (0.34) | ALDH1A1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL11599221 | 0.71 | KDM4E (0.33) | ALDH1A1FFAR3LCKFYN | |
| SCHEMBL10608198 | 0.68 | — | — | |
| SCHEMBL10608203 | 0.68 | — | — | |
| SCHEMBL5705224 | 0.67 | — | — | |
| Bicarbonate SCHEMBL1567964 | 0.67 | LMNA (0.32) | ALDH1A1 | |
| Acetic Acid SCHEMBL27291096 | 0.66 | — | — | |
| SCHEMBL9859880 | 0.65 | — | — |
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-111704600-A | Z-olefin-containing tert-butyl sulfonyl substituted 9-10-membered ring compound and synthesis method thereof | 扬州大学 | 2020-09-25 | — | — | CN | claimed |
| CN-111704600-A | Z-olefin-containing tert-butyl sulfonyl substituted 9-10-membered ring compound and synthesis method thereof | 扬州大学 | 2020-09-25 | — | — | CN | disclosed |