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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 SCHEMBL28848294 | 1.00 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNCES2 | |
| Biphenyl SCHEMBL2145661 | 0.97 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNCES2 | |
| Biphenyl SCHEMBL2257004 | 0.94 | ALDH1A1 (0.47) | ALDH1A1FFAR3LCKFYNCES2 | |
| Acetone SCHEMBL26104187 | 0.90 | ALDH1A1 (0.57) | ALDH1A1CES2CES1HSD11B1EPHX1 | |
| Bicarbonate SCHEMBL11072356 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CES2CES1HSD11B1EPHX1 | |
| Acetic Acid SCHEMBL28878527 | 0.86 | FFAR3 (0.54) | ALDH1A1FFAR3LCKFYNNPC1 | |
| Acetamide SCHEMBL28324196 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CES2CES1HSD11B1EPHX1 | |
| Methacrylic Acid SCHEMBL4126214 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CES2CES1HSD11B1EPHX1 | |
| Methacrylic Acid SCHEMBL479244 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CES2CES1HSD11B1EPHX1 | |
| Bicarbonate SCHEMBL5612384 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CES2CES1HSD11B1EPHX1 |
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-1716093-A | Photo-corrosion-resisting agent composition and rubbing method, organic layer pattern manufacture method, LCD without spin | SAMSUNG ELECTRONICS CO LTD (KR) | 2006-01-04 | — | — | CN | claimed |
| CN-1716093-A | Photo-corrosion-resisting agent composition and rubbing method, organic layer pattern manufacture method, LCD without spin | SAMSUNG ELECTRONICS CO LTD (KR) | 2006-01-04 | — | — | CN | disclosed |