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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.39 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.38 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
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 SCHEMBL28714372 | 0.98 | KMT2A (0.43) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Acetic Acid SCHEMBL30205024 | 0.98 | KMT2A (0.43) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Acetic Acid SCHEMBL27801326 | 0.98 | KMT2A (0.43) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Acetic Acid SCHEMBL28708071 | 0.98 | KMT2A (0.43) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Acetic Acid SCHEMBL16341976 | 0.95 | FDPS (0.37) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Methacrylic Acid SCHEMBL14321340 | 0.88 | HSP90AA1 (0.41) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Methacrylic Acid SCHEMBL14321955 | 0.88 | HSP90AA1 (0.41) | KMT2AMEN1HSP90AA1MAPK1APAF1 | |
| Acetic Acid SCHEMBL1486854 | 0.88 | FDPS (0.39) | FDPS | |
| SCHEMBL596944 | 0.88 | CHRM2 (0.48) | KMT2AMEN1HSP90AA1MAPK1CHRM2 | |
| Hexanoate SCHEMBL28627708 | 0.86 | FABP3 (0.43) | FDPS |
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-8150632-B2 | Method for the selection of an operative component for amalgamating a multiple phase system into a single phase system, dispersion or emulsion | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-04-03 | — | — | US | disclosed |
| US-20090112545-A1 | METHOD FOR THE SELECTION OF A SUBSTITUTE COMPONENT IN A SINGLE COMPONENT SYSTEM | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112543-A1 | METHOD FOR THE SELECTION OF A SUBSTITUTE COMPONENT FOR A MODIFIED SINGLE PHASE SYSTEM BASED UPON A COMPARISON WITH AT LEAST ONE PREDETERMINED DESIRED PROPERTY OF THE MODIFIED SYSTEM | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112546-A1 | METHOD FOR THE SELECTION OF AN OPERATIVE COMPONENT FOR AMALGAMATING A MULTIPLE PHASE SYSTEM INTO A SINGLE PHASE SYSTEM, DISPERSION OR EMULSION | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112486-A1 | METHOD FOR DESIGNING A SUBSTITUTE COMPONENT FOR A MODIFIED SYSTEM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112544-A1 | METHOD FOR THE SELECTION OF A SUBSTITUTE COMPONENT FOR A SINGLE PHASE SYSTEM BASED UPON A COMPARISON WITH AT LEAST ONE PREDETERMINED PROPERTY OF AN INITIAL SYSTEM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112536-A1 | METHOD FOR THE SELECTION OF A SUBSTITUTE COMPONENT FOR A MODIFIED MULTIPLE PHASE SYSTEM BASED UPON A COMPARISON WITH AT LEAST ONE PREDETERMINED DESIRED PROPERTY OF AN MODIFIED SYSTEM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2009-04-30 | — | — | US | disclosed |
| US-20090112542-A1 | METHOD FOR THE SELECTION OF A SUBSTITUTE COMPONENT FOR A MULTIPLE PHASE SYSTEM BASED UPON A COMPARISON WITH AT LEAST ONE PREDETERMINED PROPERTY OF AN INITIAL SYSTEM | E.I. DUPONT DE NEMOURS AND COMPANY (DE) | 2009-04-30 | — | — | US | disclosed |