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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | PPID | Q08752 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25581 | 0.86 | SLC15A1 (0.36) | LMNACTSLCTSBALDH1A1PPID | |
| Acetic Acid SCHEMBL560785 | 0.84 | LMNA (0.40) | LMNACTSKCTSLCTSBALDH1A1 | |
| SCHEMBL5145725 | 0.82 | — | — | |
| SCHEMBL560784 | 0.74 | CTSS (0.36) | LMNACTSLCTSBMEN1KMT2A | |
| Acetic Acid SCHEMBL6032839 | 0.72 | — | — | |
| SCHEMBL5145781 | 0.69 | USP2 (0.32) | LMNAALDH1A1 | |
| SCHEMBL27641459 | 0.68 | APOBEC3A (0.38) | LMNACTSKALDH1A1NPC1RAB9A | |
| SCHEMBL6881280 | 0.68 | — | — | |
| SCHEMBL27622479 | 0.67 | CYP2D6 (0.40) | LMNACTSKALDH1A1MEN1KMT2A | |
| SCHEMBL5147250 | 0.67 | SMN1; SMN2 (0.33) | LMNAALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1902714-B1 | Prodrugs of gaba analogs, compositions and uses thereof | XENOPORT INC (US) | 2012-01-11 | — | — | EP | disclosed |
| EP-2275401-A1 | Crystalline 1-{[(a-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid | XenoPort, Inc. (US) | 2011-01-19 | — | — | EP | disclosed |
| EP-2085087-A1 | Prodrugs of gaba analogs, compositions and uses thereof | Xenoport, Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| US-7423169-B2 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | XENOPORT, INC. (US) | 2008-09-09 | — | — | US | disclosed |
| EP-1902714-A1 | Prodrugs of gaba analogs, compositions and uses thereof | Xenoport, Inc. (US) | 2008-03-26 | — | — | EP | 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 | LMNA 4143/4885CTSK 1672/4885CTSL 3194/4885 |
| US-20060287250-A1 | Methods for synthesis of acyloxyalkyl derivatives of GABA analogs | GABRB1, GABRB3, GABBR1 | LMNA 4143/4885CTSK 1672/4885CTSL 3194/4885 |
| US-20080058546-A1 | Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs | GABRB1, GABRB3, GABBR1 | LMNA 4143/4885CTSK 1672/4885CTSL 3194/4885 |
“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.