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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 6/20 | 0.33 |
| ▸ | PPARD | Q03181 | 6/20 | 0.33 |
| ▸ | PPARA | Q07869 | 6/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 SCHEMBL11224897 | 1.00 | KCNH2 (0.37) | KCNH2KMT2AMAPTPPARGPPARD | |
| Acetic Acid SCHEMBL2253405 | 0.93 | KCNH2 (0.30) | KCNH2 | |
| Acetic Acid SCHEMBL7802102 | 0.91 | CA2 (0.37) | KCNH2KMT2AGPR84TDP1MEN1 | |
| SCHEMBL1138502 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL21049558 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL108012 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL107098 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL11652283 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL11250645 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 | |
| SCHEMBL9814327 | 0.90 | GNAI3 (0.37) | KMT2AALDH1A1MEN1 |
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-0444917-B1 | Packaging film containing an additive | GRACE W R & CO (US) | 1996-10-09 | — | — | EP | claimed |
| US-5306745-A | Thermoplastic resin with fungicide | W. R. GRACE & CO.-CONN. (US) | 1994-04-26 | — | — | US | claimed |
| EP-0444917-A2 | Packaging film containing an additive | W.R. Grace & Co.-Conn. (US) | 1991-09-04 | — | — | EP | claimed |
| US-20070274973-A1 | METHOD OF CONTROLLING FUNGAL PATHOGENS, AND AGENTS USEFUL FOR SAME | THE AUSTRALIAN NATIONAL UNIVERSITY | 2007-11-29 | — | — | US | disclosed |
| US-7087424-B1 | Method of controlling fungal pathogens, and agents useful for same | AUSTRALIAN NATIONAL UNIVERSITY (AT) | 2006-08-08 | — | — | US | disclosed |
| US-20060127457-A1 | Fabrics impregnated with antimicrobial agents | BUCHALTER GILBERT | 2006-06-15 | — | — | US | disclosed |
| EP-0817564-B1 | MEDIUM FOR STORING, TRANSPORTING AND/OR GROWING A PLANT | RANPAK CORP (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-0817564-A1 | MEDIUM FOR STORING, TRANSPORTING AND/OR GROWING A PLANT | RANPAK CORPORATION (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996028013-A1 | MEDIUM FOR STORING, TRANSPORTING AND/OR GROWING A PLANT | RANPAK CORP. (US) | 1996-09-19 | — | — | WO | disclosed |
| US-5306745-A | Thermoplastic resin with fungicide | W. R. GRACE & CO.-CONN. (US) | 1994-04-26 | — | — | US | disclosed |