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 | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 SCHEMBL3745418 | 1.00 | SRD5A2 (0.50) | SRD5A2APPHDAC1LMNATYR | |
| SCHEMBL30157 | 0.85 | APP (0.57) | SRD5A2APPHDAC1LMNATYR | |
| Fluoride SCHEMBL28071349 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Water SCHEMBL27605731 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Methane SCHEMBL2441578 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Ethane SCHEMBL2444352 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Ethane SCHEMBL15238205 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Methane SCHEMBL4494379 | 0.83 | APP (0.55) | SRD5A2APPHDAC1LMNATYR | |
| Acetic Acid SCHEMBL28350219 | 0.83 | TPMT (0.60) | TPMT | |
| Tert-Butylbenzene SCHEMBL5188608 | 0.81 | APP (0.50) | SRD5A2APPLMNATYRMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100564401-C | The method of anhydrous liquid phase production high purity hydroxyl polymer-containing | DUPONT ELECTRONIC TECHNOLOGIES (US) | 2009-12-02 | — | — | CN | disclosed |
| EP-1915360-A2 | PHOTOACTIVE COMPOUNDS | AZ Electronic Materials USA Corp. (US) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007007175-A2 | PHOTOACTIVE COMPOUNDS | AZ ELECTRONIC MATERIAL USA CORP. (DE) | 2007-01-18 | — | — | WO | disclosed |
| CN-1578794-A | Anhydrous, liquid phase process for preparing hydroxyl containing polymers of enhanced purity | DUPONT ELECTRONIC TECHNOLOGIES (US) | 2005-02-09 | — | — | CN | disclosed |