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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.56 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
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 SCHEMBL11222550 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL23292732 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL9430014 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL29130314 | 0.94 | SMN1; SMN2 (0.47) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Pyrrolidine SCHEMBL2797002 | 0.90 | — | — | |
| Azetidine SCHEMBL2300503 | 0.90 | — | — | |
| Piperazine SCHEMBL7327328 | 0.90 | FFAR3 (0.54) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL9599616 | 0.90 | FFAR3 (0.54) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Acetic Acid SCHEMBL3451040 | 0.90 | FFAR3 (0.54) | SMN1; SMN2CXCR4FFAR3LCKFYN | |
| Azetidine SCHEMBL30499018 | 0.90 | FFAR3 (0.54) | SMN1; SMN2CXCR4FFAR3LCKFYN |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1551762-B1 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DANISCO US INC (US) | 2010-10-27 | — | — | EP | claimed |
| US-20080182971-A1 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | GENENCOR INTERNATIONAL, INC. (US) | 2008-07-31 | — | — | US | claimed |
| US-7361731-B2 | Peptide derivatives, and their use for the synthesis of silicon-based composite materials | GENENCOR INTERNATIONAL, INC. (US) | 2008-04-22 | — | — | US | claimed |
| EP-1551762-A4 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DOW CORNING (US) | 2008-04-16 | — | — | EP | claimed |
| US-7081472-B2 | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-07-25 | — | — | US | claimed |
| EP-1551762-A2 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | Dow Corning Corporation (US) | 2005-07-13 | — | — | EP | claimed |
| US-20040053911-A1 | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2004-03-18 | — | — | US | claimed |
| US-20040039179-A1 | Peptide derivatives, and their use for the synthesis of silicon-based composite materials | DANISCO US INC. | 2004-02-26 | — | — | US | claimed |
| WO-2003099843-A2 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DOW CORNING CORPORATION (US) | 2003-12-04 | — | — | WO | claimed |
| EP-1551762-B1 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DANISCO US INC (US) | 2010-10-27 | — | — | EP | disclosed |
| US-20080182971-A1 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | GENENCOR INTERNATIONAL, INC. (US) | 2008-07-31 | — | — | US | disclosed |
| US-7361731-B2 | Peptide derivatives, and their use for the synthesis of silicon-based composite materials | GENENCOR INTERNATIONAL, INC. (US) | 2008-04-22 | — | — | US | disclosed |
| EP-1551762-A4 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DOW CORNING (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1551762-A2 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | Dow Corning Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20040039179-A1 | Peptide derivatives, and their use for the synthesis of silicon-based composite materials | DANISCO US INC. | 2004-02-26 | — | — | US | disclosed |
| WO-2003099843-A2 | PEPTIDE DERIVATIVES, AND THEIR USE FOR THE SYNTHESIS OF SILICON-BASED COMPOSITE MATERIALS | DOW CORNING CORPORATION (US) | 2003-12-04 | — | — | 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 (1 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-20040053911-A1 | Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them | IDO1, IDO2, CNR1 | SMN1; SMN2 3164/4885CXCR4 1174/4885FFAR3 1425/4885 |
“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.