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 | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.39 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 3/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pyruvate SCHEMBL1833927 | 0.92 | GSR (0.39) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Bicarbonate SCHEMBL1829915 | 0.91 | GSR (0.45) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Bicarbonate SCHEMBL5155014 | 0.91 | GSR (0.45) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Bicarbonate SCHEMBL1832370 | 0.91 | GSR (0.45) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Oxalic Acid SCHEMBL1830899 | 0.89 | GSR (0.43) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL28577417 | 0.89 | GSR (0.46) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL19582076 | 0.89 | GSR (0.46) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Propionic Acid SCHEMBL1833393 | 0.88 | ALDH1A1 (0.46) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Glycolic Acid SCHEMBL1839847 | 0.88 | GSR (0.42) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| SCHEMBL1832529 | 0.87 | ALDH1A1 (0.37) | GSRALDH1A1CPB2RNPEPENPEP |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9328220-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2016-05-03 | — | — | US | disclosed |
| US-8992798-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2015-03-31 | — | — | US | disclosed |
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| US-20140187684-A1 | LIQUIDS | INNOVIA FILMS LIMITED (GB) | 2014-07-03 | — | — | US | disclosed |
| US-20110257433-A1 | LIQUIDS | THE UNIVERSITY OF YORK (GB) | 2011-10-20 | — | — | US | disclosed |
| EP-2322497-A1 | Ionic liquids comprising nitrogen containing cations | Innovia Films Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |