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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2351774 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL23458981 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL225199 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL14390606 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Acetic Acid SCHEMBL5891648 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL20189848 | 0.74 | — | — | |
| Gabapentin SCHEMBL26730 | 0.74 | CYP1A2 (0.96) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL7340062 | 0.74 | CYP1A2 (0.96) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL6689206 | 0.74 | CYP1A2 (0.96) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Bicarbonate SCHEMBL25218329 | 0.72 | ALDH1A1 (0.71) | ALDH1A1CYP1A2USP2LMNATSHR |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010075520-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-07-01 | — | — | WO | claimed |
| US-20100160666-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-06-24 | — | — | US | claimed |
| US-20200283376-A1 | Crystalline Form of y-Aminobutyric Acid Analog | ARBOR PHARMACEUTICALS, LLC | 2020-09-10 | — | — | US | disclosed |
| US-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | ARBOR PHARMACEUTICALS LLC (US) | 2019-05-23 | — | — | US | disclosed |
| US-20170183296-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | ARBOR PHARMACEUTICALS, LLC | 2017-06-29 | — | — | US | disclosed |
| US-20150353483-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2015-12-10 | — | — | US | disclosed |
| US-9150503-B2 | Crystalline form of γ-aminobutyric acid analog | XENOPORT, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-20140235710-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2014-08-21 | — | — | US | disclosed |
| EP-2275401-B1 | Crystalline 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid | XENOPORT INC (US) | 2013-04-03 | — | — | EP | disclosed |
| US-20120041061-A1 | USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES | XENOPORT INC. | 2012-02-16 | — | — | US | disclosed |
| US-20110313036-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2011-12-22 | — | — | US | disclosed |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | XENOPORT, INC | 2008-03-06 | — | — | US | disclosed |
| US-7232924-B2 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. (US) | 2007-06-19 | — | — | US | disclosed |
| US-20070049627-A1 | Treating vulvodynia using prodrugs of GABA analogs | XENOPORT, INC. | 2007-03-01 | — | — | US | disclosed |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. | 2006-12-21 | — | — | US | disclosed |
| EP-1554237-A4 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT INC (US) | 2006-11-02 | — | — | EP | disclosed |
| EP-1554237-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | Xenoport, Inc. (US) | 2005-07-20 | — | — | EP | disclosed |
| US-20050154057-A1 | Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia | HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT | 2005-07-14 | — | — | US | disclosed |
| US-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. | 2004-01-22 | — | — | US | disclosed |
| WO-2003104184-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT, INC. (US) | 2003-12-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
| US-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | ALDH1A1 495/4885CYP1A2 1323/4885USP2 1225/4885 |
| US-20140235710-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
| US-20110313036-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
| US-20120041061-A1 | USE OF PRODRUGS OF GABA ANALOGS FOR TREATING DISEASES | GABRB1, GABBR1, GABRB3 | ALDH1A1 2545/4885CYP1A2 819/4885USP2 2656/4885 |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | ALDH1A1 495/4885CYP1A2 1323/4885USP2 1225/4885 |
| US-20150353483-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | GABRB1, GABRB3, GABBR1 | ALDH1A1 495/4885CYP1A2 1323/4885USP2 1225/4885 |
| US-20100160666-A1 | PREPARATION OF GABAPENTIN ENACARBIL INTERMEDIATE | GABRB1, GABRB3, GABRB2 | ALDH1A1 1149/4885CYP1A2 3043/4885USP2 4388/4885 |
| US-20050154057-A1 | Crystalline 1-{[( alpha -isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid; may be used as therapeutic agents in the treatment of neuropathic pain and post-herpetic neuralgia | GABRB1, GABRP, GABRA1 | ALDH1A1 798/4885CYP1A2 4021/4885USP2 1525/4885 |
| US-20200283376-A1 | Crystalline Form of y-Aminobutyric Acid Analog | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
| US-20070049627-A1 | Treating vulvodynia using prodrugs of GABA analogs | GABBR1, GABBR2, GABRB3 | ALDH1A1 445/4885CYP1A2 335/4885USP2 1317/4885 |
| US-20170183296-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | ALDH1A1 1810/4885CYP1A2 1310/4885USP2 1318/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.