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 | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 6/20 | 0.37 |
| ▸ | CTSS | P25774 | 5/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL828460 | 0.86 | ALDH1A1 (0.44) | CTSKCTSLCTSSCTSBLMNA | |
| SCHEMBL828254 | 0.85 | CTSK (0.35) | CTSKCTSLCTSSCTSBLMNA | |
| SCHEMBL25331 | 0.82 | GAA (0.39) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL6886846 | 0.80 | CTSK (0.35) | CTSKCTSLCTSSCTSBLMNA | |
| SCHEMBL4755060 | 0.78 | KMT2A (0.39) | CTSKCTSLCTSSCTSBLMNA | |
| SCHEMBL26773 | 0.74 | TSHR (0.40) | CTSKLMNAKMT2AGAAMAPK1 | |
| Acetic Acid SCHEMBL4755059 | 0.72 | LMNA (0.48) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL828459 | 0.71 | CYP3A4 (0.37) | CTSKCTSLCTSSCTSBLMNA | |
| SCHEMBL25513 | 0.70 | CYP2D6 (0.43) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Acetic Acid SCHEMBL5147237 | 0.69 | LMNA (0.39) | LMNACYP1A2CYP2D6SCN1ASCN2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143437-B2 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | XENOPORT, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20090239950-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | XENOPORT, INC. (US) | 2009-09-24 | — | — | US | disclosed |
| US-7560483-B2 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | XENOPORT, INC. (US) | 2009-07-14 | — | — | US | disclosed |
| US-20050239725-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | XENOPORT, INC. | 2005-10-27 | — | — | US | disclosed |
| US-6927036-B2 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | XERO PORT, INC. (US) | 2005-08-09 | — | — | US | disclosed |
| EP-1485082-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | Xenoport, Inc. (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003077902-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | XENOPORT, INC. (US) | 2003-09-25 | — | — | WO | disclosed |
| US-20030171303-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | ARBOR PHARMACEUTICALS, LLC | 2003-09-11 | — | — | 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-20090239950-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | AADAC, UGT1A1, ABHD5 | CTSK 1705/4885CTSL 1702/4885CTSS 1052/4885 |
| US-20030171303-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | AADAC, UGT1A1, AGPAT5 | CTSK 1704/4885CTSL 1575/4885CTSS 1028/4885 |
| US-20050239725-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | AADAC, UGT1A1, ABHD5 | CTSK 1705/4885CTSL 1702/4885CTSS 1052/4885 |
“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.