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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 4/20 | 0.67 |
| ▸ | CYCS | P99999 | 4/20 | 0.65 |
| ▸ | TERT | O14746 | 4/20 | 0.55 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | STAT3 | P40763 | 1/20 | 0.54 |
| ▸ | STAT1 | P42224 | 1/20 | 0.54 |
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 SCHEMBL9850523 | 0.92 | TOP1 (0.61) | TOP1CYCSTERTENPP2ABCG2 | |
| Acetic Acid SCHEMBL9639860 | 0.92 | TOP1 (0.61) | TOP1CYCSTERTENPP2ABCG2 | |
| Acetic Acid SCHEMBL30423783 | 0.92 | TOP1 (0.61) | TOP1CYCSTERTENPP2ABCG2 | |
| SCHEMBL16552331 | 0.90 | TOP1 (0.71) | TOP1CYCSTERTENPP2ABCG2 | |
| SCHEMBL30136 | 0.89 | TOP1 (0.64) | TOP1CYCSTERTENPP2STAT3 | |
| SCHEMBL29405434 | 0.89 | TOP1 (0.64) | TOP1CYCSTERTENPP2STAT3 | |
| SCHEMBL15085674 | 0.88 | TOP1 (0.62) | TOP1CYCSTERTENPP2STAT3 | |
| SCHEMBL8014524 | 0.88 | TOP1 (0.62) | TOP1CYCSTERTENPP2STAT3 | |
| SCHEMBL9418767 | 0.88 | TOP1 (0.62) | TOP1CYCSTERTENPP2STAT3 | |
| SCHEMBL991489 | 0.88 | TOP1 (0.62) | TOP1CYCSTERTENPP2STAT3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170244131-A1 | Electrolyte Materials for Batteries and Methods for Use | WILDCAT DISCOVERY TECHNOLOGIES, INC. | 2017-08-24 | — | — | US | disclosed |
| US-9660294-B2 | Electrolyte materials for batteries and methods for use | WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) | 2017-05-23 | — | — | US | disclosed |
| WO-2013040100-A1 | ELECTROLYTE MATERIALS FOR BATTERIES AND METHODS FOR USE | WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) | 2013-03-21 | — | — | WO | disclosed |
| US-20130065115-A1 | Electrolyte Materials For Batteries And Methods For Use | WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) | 2013-03-14 | — | — | US | disclosed |
| EP-0308101-B1 | PREPARATION OF TERTIARY BUTYL ALCOHOL | TEXACO DEVELOPMENT CORPORATION (US) | 1992-07-22 | — | — | EP | disclosed |
| EP-0308101-A1 | Preparation of tertiary butyl alcohol | TEXACO DEVELOPMENT CORPORATION (US) | 1989-03-22 | — | — | EP | disclosed |