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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2471464 | 0.96 | LMNA (0.50) | SCN1ASCN2ASCN3ALMNATSHR | |
| Hydrochloric Acid SCHEMBL29163806 | 0.96 | LMNA (0.50) | SCN1ASCN2ASCN3ALMNATSHR | |
| Aspirin SCHEMBL28641867 | 0.83 | KDM4E (0.55) | SCN1ASCN2ASCN3ALMNATSHR | |
| Acetic Acid SCHEMBL28346369 | 0.82 | PGR (0.54) | SCN1ASCN2ASCN3ALMNATSHR | |
| SCHEMBL9401304 | 0.82 | LMNA (0.50) | SCN1ASCN2ASCN3ALMNATSHR | |
| SCHEMBL2467125 | 0.80 | SCN1A (0.41) | SCN1ASCN2ASCN3ALMNATSHR | |
| Hydrochloric Acid SCHEMBL2578305 | 0.80 | SCN1A (0.41) | SCN1ASCN2ASCN3ALMNATSHR | |
| SCHEMBL27853501 | 0.79 | ALDH1A1 (0.55) | SCN1ASCN2ASCN3ATSHRTDP1 | |
| SCHEMBL3805681 | 0.79 | SCN1A (0.39) | SCN1ASCN2ASCN3ALMNATSHR | |
| Hydrochloric Acid SCHEMBL2581310 | 0.79 | SCN1A (0.39) | SCN1ASCN2ASCN3ALMNATSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105439877-B | The prodrug of positively charged water-soluble Diflunisal and related compound | 于崇曦 | 2019-07-23 | — | — | CN | claimed |
| CN-111808011-B | High penetration composition and its application | 泰飞尔生物医药(苏州)有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-105820107-B | Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and novel medical application thereof | 泰飞尔公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-113636965-A | High penetration composition and application thereof | 于崇曦 | 2021-11-12 | — | — | CN | disclosed |
| CN-107320732-B | High penetration composition and application thereof | 于崇曦 | 2021-09-07 | — | — | CN | disclosed |
| CN-108191846-B | High penetration composition and application thereof | 于崇曦 | 2021-08-20 | — | — | CN | disclosed |
| CN-111808011-A | High penetration composition and application thereof | 于崇曦 | 2020-10-23 | — | — | CN | disclosed |
| CN-105439877-B | The prodrug of positively charged water-soluble Diflunisal and related compound | 于崇曦 | 2019-07-23 | — | — | CN | disclosed |
| CN-105669531-B | The prodrug of non-steroidal anti-inflammatory drugs with fast skin and membranes penetration speed and its new medical usage | 于崇曦 | 2019-05-07 | — | — | CN | disclosed |
| CN-105669531-A | Prodrug of non-steroidal anti-inflammatory drug having high skin and biological membrane penetration speed and novel medical application thereof | 于崇曦 | 2016-06-15 | — | — | CN | disclosed |
| CN-105439877-A | Positively charged water-soluble prodrug of diflunisal and related compound | YU CHONGXI | 2016-03-30 | — | — | CN | disclosed |
| CN-101687792-B | Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and medical application thereof | YU CHONGXI (US) | 2016-03-02 | — | — | CN | disclosed |
| CN-101500983-B | Positively charged water-soluble prodrugs of diflunisal and related compounds with fast skin penetration rate | YU CHONGXI (US) | 2015-09-16 | — | — | CN | disclosed |
| CN-101687792-A | Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and novel medical application thereof | CHONGXI YU | 2010-03-31 | — | — | CN | disclosed |