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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.78 |
| ▸ | LCK | P06239 | 1/20 | 0.78 |
| ▸ | FYN | P06241 | 1/20 | 0.78 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 SCHEMBL28374360 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL2402511 | 0.94 | — | — | |
| Acetic Acid SCHEMBL7528221 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL9577920 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL21084343 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL23092255 | 0.94 | — | — | |
| Acetic Acid SCHEMBL7080562 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL4217512 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL8369423 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL14942379 | 0.94 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130156857-A1 | Pharmaceutical Compositions Containing Diacerein | TWI BIOTECHNOLOGY, INC. (TW) | 2013-06-20 | — | — | US | 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 |