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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SLC13A5 | Q86YT5 | 9/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| Citric Acid SCHEMBL667369 | 0.98 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL324871 | 0.98 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28185558 | 0.98 | ALDH1A1 (0.60) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL7498202 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Ammonia Solution, Strong SCHEMBL8604358 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Hydrochloric Acid SCHEMBL9717842 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28110151 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL20187424 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL21048440 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL28173020 | 0.96 | ALDH1A1 (0.58) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105722517-A | Microwave sterilization of pharmaceutical cyanoacrylate esters compositions | 柯惠有限合伙公司 | 2016-06-29 | — | — | CN | disclosed |
| EP-3030246-A1 | MICROWAVE STERILIZATION OF PHARMACEUTICAL CYANOACRYLATE ESTERS COMPOSITIONS | Covidien LP (US) | 2016-06-15 | — | — | EP | disclosed |
| US-20150044091-A1 | MICROWAVE STERILIZATION OF PHARMACEUTICAL CYANOACRYLATE ESTERS COMPOSITIONS | COVIDIEN LP | 2015-02-12 | — | — | US | disclosed |
| WO-2015021179-A1 | MICROWAVE STERILIZATION OF PHARMACEUTICAL CYANOACRYLATE ESTERS COMPOSITIONS | SAPHEON, INC. (US) | 2015-02-12 | — | — | WO | disclosed |