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 | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 4/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10618281 | 0.90 | CES2 (0.38) | CES2CES1HSD11B1DPP4DPP8 | |
| Hydrogen Peroxide SCHEMBL28133733 | 0.87 | CES2 (0.30) | CES2CES1 | |
| Acetic Acid SCHEMBL9843899 | 0.86 | CA1 (0.39) | HPGDMAPK10CES2CES1HSD11B1 | |
| Acetic Acid SCHEMBL9843831 | 0.86 | CA1 (0.35) | HPGDMAPK10CES2CES1HSD11B1 | |
| SCHEMBL10437830 | 0.83 | CES2 (0.36) | CES2CES1HSD11B1DPP4DPP8 | |
| SCHEMBL24003864 | 0.82 | CES2 (0.42) | HPGDCES2CES1HSD11B1DPP4 | |
| Acetic Acid Methyl Ester SCHEMBL28239396 | 0.82 | ALDH1A1 (0.43) | HPGDMAPK10HSD11B1DPP4DPP8 | |
| Maleic Acid SCHEMBL6838884 | 0.82 | HTT (0.47) | CES2CES1DPP4DPP8DPP7 | |
| Ethane SCHEMBL2154402 | 0.82 | KCNH2 (0.30) | — | |
| SCHEMBL28037497 | 0.82 | CES2 (0.30) | CES2CES1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0414262-B1 | Process for the preparation of cyclic amino anticonvulsant compounds | WARNER LAMBERT CO (US) | 1994-11-30 | — | — | EP | claimed |
| CN-117835831-A | Flavor modulating composition | 玉米产品开发公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-116143644-A | Method for continuously preparing gabapentin | 浙江华海药业股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| WO-2019157921-A1 | NITRILASE MUTANT AND APPLICATION THEREOF | 浙江工业大学 | 2019-08-22 | — | — | WO | disclosed |
| CN-104911225-A | Method for preparing gabapentin with chemo-enzymatic method | UNIV ZHEJIANG TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |
| CN-104911174-A | Immobilization method for cells containing nitrilase | UNIV ZHEJIANG TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |
| CN-101484413-B | Process for preparing gabapentin | ZACH SYSTEM SPA | 2014-05-14 | — | — | CN | disclosed |
| EP-1603863-B1 | PROCESS FOR THE PREPARATION OF AMINO METHYL CYCLO ALKANE ACETIC ACIDS | HIKAL LTD (IN) | 2010-01-13 | — | — | EP | disclosed |
| JP-2007297386-A | METHOD FOR PREPARING GABAPENTIN | PFIZER SCIENCE & TECHNOLOGY IRELAND LTD | 2007-11-15 | — | — | JP | disclosed |
| EP-0414262-A2 | Process for the preparation of cyclic amino anticonvulsant compounds | WARNER-LAMBERT COMPANY (US) | 1991-02-27 | — | — | EP | disclosed |