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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845563 | 0.91 | KDM4E (0.64) | KDM4ETP53ALOX5ALDH1A1GSK3B | |
| SCHEMBL2270654 | 0.91 | KDM4E (0.64) | KDM4ETP53ALOX5ALDH1A1GSK3B | |
| SCHEMBL9647747 | 0.76 | POLB (0.50) | KDM4ETP53POLBALDH1A1LCK | |
| SCHEMBL27697861 | 0.76 | TSHR (0.44) | KDM4ETP53POLBALDH1A1LCK | |
| SCHEMBL1520712 | 0.71 | FABP4 (0.56) | KDM4EALDH1A1LCKPRKACACSNK2A2 | |
| SCHEMBL31091767 | 0.71 | KDM4E (1.00) | KDM4ETP53POLBALOX5ALDH1A1 | |
| SCHEMBL1101962 | 0.71 | KDM4E (1.00) | KDM4ETP53POLBALOX5ALDH1A1 | |
| SCHEMBL20725319 | 0.70 | KDM4E (0.44) | KDM4ETP53POLBALDH1A1LCK | |
| SCHEMBL28221189 | 0.70 | DAO (0.45) | KDM4ETP53POLBALDH1A1LMNA | |
| SCHEMBL30839913 | 0.69 | KDM4E (0.45) | KDM4ETP53ALOX5ALDH1A1LCK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294726-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | AbbVie Inc. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016168633-A1 | INDAZOLONES AS MODULATORS OF TNF SIGNALING | ABBVIE INC. (US) | 2016-10-20 | — | — | WO | disclosed |