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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.47 |
| ▸ | MGLL | Q99685 | 8/20 | 0.46 |
| ▸ | FAAH | O00519 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL44144 | 0.87 | MGLL (0.59) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL17453110 | 0.87 | PTGS1 (0.43) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| Hydrochloric Acid SCHEMBL1535392 | 0.85 | MGLL (0.56) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL21777709 | 0.82 | PTGS1 (0.50) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL15298752 | 0.82 | MGLL (0.53) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL6534991 | 0.82 | MGLL (0.48) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL20153840 | 0.79 | PTGS1 (0.43) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL11053925 | 0.79 | MGLL (0.50) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL18118450 | 0.78 | MGLL (0.45) | PTGS1PTGS2MGLLFAAHALDH1A1 | |
| SCHEMBL17453155 | 0.77 | PTGS1 (0.49) | PTGS1PTGS2MGLLFAAHALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968223-B1 | BIOCONJUGATION OF MACROMOLECULES | SIGMA ALDRICH CO LLC (US) | 2016-12-21 | — | — | EP | disclosed |
| EP-2256133-B1 | Bioconjugation of macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| EP-2319854-B1 | Bioconjugation Of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-11-30 | — | — | EP | disclosed |
| EP-2319855-B1 | Bioconjugation of Macromolecules | SIGMA ALDRICH CO LLC (US) | 2016-04-06 | — | — | EP | disclosed |
| EP-2319855-A1 | Bioconjugation of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2319854-A1 | Bioconjugation Of Macromolecules | Sigma-Aldrich Co. (US) | 2011-05-11 | — | — | EP | disclosed |
| EP-2256133-A1 | Bioconjugation of macromolecules | Sigma-Aldrich Co. (US) | 2010-12-01 | — | — | EP | disclosed |
| US-6737236-B1 | DERIVATIZING OLIGONUCLEOTIDES AND PROTEINS USING CYCLOADDITION REACTIONS INCLUDING DIELS-ALDER REACTION OR 1,3-DIPOLAR CYCLOADDITION REACTIONS | PROLIGO, LLC | 2004-05-18 | — | — | US | disclosed |
| EP-0968223-A1 | BIOCONJUGATION OF MACROMOLECULES | Proligo L.L.C. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998030575-A1 | BIOCONJUGATION OF MACROMOLECULES | PROLIGO LLC (US) | 1998-07-16 | — | — | WO | disclosed |