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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4881564 | 1.00 | CES2 (0.38) | CES2CES1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL3009445 | 0.97 | CES2 (0.36) | CES2CES1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL2465122 | 0.97 | CES2 (0.36) | CES2CES1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL3009441 | 0.97 | CES2 (0.36) | CES2CES1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL27580724 | 0.97 | FFAR3 (0.39) | CES2CES1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL28995599 | 0.89 | CES2 (0.31) | CES2CES1 | |
| Acetic Acid SCHEMBL202979 | 0.85 | CA1 (0.38) | CES2CES1EPHX1EPHX2NPC1 | |
| Acetic Acid SCHEMBL342646 | 0.85 | CA1 (0.38) | CES2CES1EPHX1EPHX2NPC1 | |
| Acetic Acid SCHEMBL27554668 | 0.82 | CA1 (0.40) | CES2CES1TSHR | |
| SCHEMBL301767 | 0.80 | ALDH1A1 (0.33) | CES2CES1ALDH1A1GAAPKM |
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-109790122-A | Heterocyclic compound | 武田药品工业株式会社 | 2019-05-21 | — | — | CN | disclosed |