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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.41 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10602994 | 0.88 | MAOA (0.50) | ALDH1A1SMN1; SMN2USP2LMNACYP1A2 | |
| SCHEMBL2864890 | 0.88 | MAOA (0.50) | ALDH1A1SMN1; SMN2USP2LMNACYP1A2 | |
| SCHEMBL9141601 | 0.87 | MAOA (0.52) | ALDH1A1SMN1; SMN2USP2LMNACYP1A2 | |
| SCHEMBL9245361 | 0.83 | MAOA (0.52) | SMN1; SMN2GAAMAOAMAOBDPP4 | |
| SCHEMBL3614196 | 0.79 | MAOA (0.56) | SMN1; SMN2LMNAGAAMAOAMAOB | |
| SCHEMBL9139686 | 0.78 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2USP2LMNACYP1A2 | |
| SCHEMBL1588016 | 0.77 | MAOA (0.52) | ALDH1A1GAAADRB2HTTMAOA | |
| SCHEMBL4581280 | 0.77 | MAOA (0.52) | ALDH1A1GAAADRB2HTTMAOA | |
| SCHEMBL268688 | 0.77 | MAOA (0.52) | ALDH1A1GAAADRB2HTTMAOA | |
| SCHEMBL9465836 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2USP2LMNACYP1A2 |
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-2275401-B1 | Crystalline 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid | XENOPORT INC (US) | 2013-04-03 | — | — | EP | disclosed |
| EP-2275401-A1 | Crystalline 1-{[(a-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid | XenoPort, Inc. (US) | 2011-01-19 | — | — | EP | disclosed |
| US-7423169-B2 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. (US) | 2008-09-09 | — | — | 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-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-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 (3 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-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | ADRB2 1502/4885ALDH1A1 495/4885SMN1; SMN2 4249/4885 |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | ADRB2 1502/4885ALDH1A1 495/4885SMN1; SMN2 4249/4885 |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | GABRB1, GABRB3, GABBR1 | ADRB2 1502/4885ALDH1A1 495/4885SMN1; SMN2 4249/4885 |
“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.