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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27924568 | 0.92 | GSTP1 (0.31) | GSTP1 | |
| Bicarbonate SCHEMBL27693050 | 0.92 | GSTP1 (0.31) | GSTP1 | |
| SCHEMBL151311 | 0.91 | GSTP1 (0.32) | GSTP1 | |
| SCHEMBL27514832 | 0.88 | GSTP1 (0.32) | GSTP1 | |
| Methane SCHEMBL28166545 | 0.88 | GSTP1 (0.32) | GSTP1 | |
| Methyl Alcohol SCHEMBL28211579 | 0.88 | GSTP1 (0.32) | GSTP1 | |
| Ammonia Solution, Strong SCHEMBL28838555 | 0.88 | GSTP1 (0.32) | GSTP1 | |
| Propene SCHEMBL28156766 | 0.83 | ALDH1A1 (0.32) | GSTP1 | |
| Butanone SCHEMBL28130016 | 0.82 | ALDH1A1 (0.48) | GSTP1 | |
| SCHEMBL6958310 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110085870-A | A kind of alkali metal composite negative pole and preparation method thereof and the application in preparation solid-state alkali metal battery | 浙江大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-110048153-A | A kind of solid metallic lithium battery and preparation method thereof | 浙江大学 | 2019-07-23 | — | — | CN | disclosed |
| CN-107611477-A | Colloidal electrolyte, precursor composition thereof and battery | 财团法人工业技术研究院 | 2018-01-19 | — | — | CN | disclosed |
| CN-104091922-B | Mo0.5W0.5S2Nanometer watt/Graphene electrochemistry storage sodium combination electrode and preparation method | ZHEJIANG UNIVERSITY (CN) | 2016-05-25 | — | — | CN | disclosed |
| CN-104091954-B | Multiple edge WS2/ Graphene electrochemistry storage sodium combination electrode and preparation method | ZHEJIANG UNIVERSITY (CN) | 2016-05-25 | — | — | CN | disclosed |