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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13508644 | 0.74 | USP2 (0.35) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL828337 | 0.73 | CYP2C19 (0.31) | — | |
| SCHEMBL8342800 | 0.73 | ALDH1A1 (0.53) | USP2ALDH1A1LMNACYP1A2TSHR | |
| Alcohol SCHEMBL8653858 | 0.72 | ALDH1A1 (0.31) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL10613754 | 0.72 | — | — | |
| SCHEMBL48705 | 0.71 | — | — | |
| Cyclohexane SCHEMBL5450052 | 0.71 | — | — | |
| Acetic Acid SCHEMBL25992 | 0.71 | GAA (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL2641676 | 0.69 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL5411072 | 0.69 | — | — |
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 | USP2 3058/4885ALDH1A1 126/4885LMNA 2708/4885 |
| US-20030171303-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | AADAC, UGT1A1, AGPAT5 | USP2 3238/4885ALDH1A1 158/4885LMNA 2537/4885 |
| US-20050239725-A1 | Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof | AADAC, UGT1A1, ABHD5 | USP2 3058/4885ALDH1A1 126/4885LMNA 2708/4885 |
“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.