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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9329572 | 0.90 | CES2 (0.39) | CES2CES1GRIK1ADH1CADH1A | |
| Methyl Alcohol SCHEMBL11013901 | 0.87 | ADH1A (0.39) | CES2CES1ADH1CADH1AEPHX1 | |
| SCHEMBL329469 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| Cyclopentanecarbaldehyde SCHEMBL14575123 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| SCHEMBL11341547 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| SCHEMBL3036861 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| SCHEMBL493755 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| SCHEMBL59918 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| Cyclononanecarbaldehyde SCHEMBL1920808 | 0.84 | ADH1A (0.41) | CES2CES1ADH1CADH1A | |
| Cycloheptane Carbaldehyde SCHEMBL95620 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010023694-A2 | CRYSTALLINE FORMS OF GABAPENTIN AND PROCESS THEREOF | HIKAL LTD (IN) | 2010-03-04 | — | — | WO | disclosed |