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 | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | NPFFR1 | Q9GZQ6 | 4/20 | 0.44 |
| ▸ | NPFFR2 | Q9Y5X5 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 5/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 4/20 | 0.42 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580794 | 0.82 | SYK (0.49) | SYKIDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL4522027 | 0.82 | SYK (0.46) | SYKIDO1NPFFR1NPFFR2CA12 | |
| Acetic Acid SCHEMBL1046437 | 0.81 | NPFFR1 (0.45) | NPFFR1NPFFR2CTSLCTSKCTSB | |
| SCHEMBL25218807 | 0.81 | SYK (0.47) | SYKIDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL9146667 | 0.80 | OPRM1 (0.50) | NPFFR1NPFFR2KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL25419 | 0.79 | NPFFR1 (0.43) | NPFFR1NPFFR2CTSLCTSKCTSB | |
| SCHEMBL12160278 | 0.79 | FAAH (0.40) | SYKIDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL4780567 | 0.79 | EPHX1 (0.42) | SYKCA12CA1CA7CA14 | |
| SCHEMBL6393247 | 0.79 | IDO1 (0.48) | SYKIDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL4974298 | 0.79 | IDO1 (0.48) | SYKIDO1NPFFR1NPFFR2CA12 |
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 7 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 |
| US-20040014940-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. | 2004-01-22 | — | — | US | 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 | SYK 4804/4885IDO1 1879/4885NPFFR1 463/4885 |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | SYK 4804/4885IDO1 1879/4885NPFFR1 463/4885 |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | GABRB1, GABRB3, GABBR1 | SYK 4804/4885IDO1 1879/4885NPFFR1 463/4885 |
“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.