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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL42229 | 0.92 | — | — | |
| Benzene SCHEMBL11102681 | 0.90 | GAA (0.52) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| SCHEMBL7515118 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11286426 | 0.90 | — | — | |
| SCHEMBL9150156 | 0.90 | EPHX1 (0.52) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| Methacrylic Acid SCHEMBL27953946 | 0.87 | GAA (0.44) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| Acrylic Acid SCHEMBL27387156 | 0.82 | EPHX1 (0.42) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| Acetonitrile SCHEMBL10957538 | 0.81 | EPHX1 (0.45) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| SCHEMBL9458805 | 0.81 | EPHX1 (0.45) | EPHX1ALDH1A1LMNAHSD17B10GAA | |
| Toluene SCHEMBL11085968 | 0.79 | GAA (0.56) | ALDH1A1LMNAHSD17B10GAAMAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102977832-A | VC adhesive and preparation method of aluminum foil adhesive tape | NINGBO SOKEN CHEMICAL CO LTD | 2013-03-20 | — | — | CN | claimed |
| US-20130156857-A1 | Pharmaceutical Compositions Containing Diacerein | TWI BIOTECHNOLOGY, INC. (TW) | 2013-06-20 | — | — | US | disclosed |
| CN-102977832-A | VC adhesive and preparation method of aluminum foil adhesive tape | NINGBO SOKEN CHEMICAL CO LTD | 2013-03-20 | — | — | CN | disclosed |
| EP-2349289-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING DIACEREIN | TWI Biotechnology, Inc. (TW) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010051296-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING DIACEREIN | ANCHEN LABORATORIES, INC. (US) | 2010-05-06 | — | — | WO | disclosed |
| US-20100104651-A1 | Pharmaceutical Compositions Containing Diacerein | TWI BIOTECHNOLOGY, INC. (TW) | 2010-04-29 | — | — | US | disclosed |
| US-20070014858-A1 | Method for controlling lag time of in-situ passageway formation in osmotic delivery system | EMPAX PHARMA INC. | 2007-01-18 | — | — | US | disclosed |