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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | SRR | Q9GZT4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11363953 | 0.97 | ALDH1A1 (0.44) | ALDH1A1FFAR3LCKFYNTSHR | |
| Acetic Acid SCHEMBL8060161 | 0.87 | CA1 (0.45) | ALDH1A1TSHRLMNAHSD17B10 | |
| SCHEMBL6265022 | 0.86 | KDM4E (0.42) | ALDH1A1TSHRLMNAHSD17B10MGAM | |
| SCHEMBL6044936 | 0.83 | — | — | |
| SCHEMBL10763172 | 0.83 | — | — | |
| SCHEMBL6044931 | 0.83 | — | — | |
| SCHEMBL18405555 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNAHSD17B10MGAM | |
| SCHEMBL344633 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL29226834 | 0.81 | — | — | |
| SCHEMBL28555210 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101321806-B | Polyglutamate-amino acid conjugates and methods | NITTO DENKO CORP (JP) | 2011-01-26 | — | — | CN | disclosed |
| CN-101321806-A | Polyglutamate-amino acid conjugates and methods | NITTO DENKO CORP (JP) | 2008-12-10 | — | — | CN | disclosed |
| US-20060142171-A1 | Novel alkaline protease | FORSKARPATENT I SYD AB (SE) | 2006-06-29 | — | — | US | disclosed |
| EP-1611235-A1 | NOVEL ALKALINE PROTEASE | Forskarpatent i Syd AB (SE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004085639-A9 | NOVEL ALKALINE PROTEASE | FORSKARPATENT I SYD AB (SE) | 2005-11-10 | — | — | WO | disclosed |
| WO-2004085639-A1 | NOVEL ALKALINE PROTEASE | FORSKARPATENT I SYD AB (SE) | 2004-10-07 | — | — | WO | disclosed |
| EP-0268177-A2 | Pest control and plant treatment agents | BAYER AG (DE) | 1988-05-25 | — | — | EP | disclosed |
| US-4442088-A | Tumor enzyme detection | SHRINERS HOSPITALS FOR CRIPPLED CHILDREN (US) | 1984-04-10 | — | — | US | disclosed |
| US-4028106-A | CYAN COUPLER | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) | 1977-06-07 | — | — | US | disclosed |