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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 3/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.62 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.62 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.62 |
| ▸ | ALB | P02768 | 1/20 | 0.62 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.62 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.62 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431084 | 0.96 | TTR (0.71) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13109328 | 0.89 | TTR (0.65) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13109329 | 0.89 | TTR (0.68) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13109322 | 0.88 | TTR (0.67) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL10844751 | 0.88 | TTR (0.70) | TTRCYP2C9USP2LMNATBXA2R | |
| Acetic Acid SCHEMBL27749791 | 0.88 | TTR (0.64) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13109332 | 0.87 | TTR (0.65) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13922743 | 0.86 | TTR (0.74) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL14605848 | 0.86 | TTR (0.67) | TTRCYP2C9USP2LMNATBXA2R | |
| SCHEMBL13299162 | 0.85 | TTR (0.73) | TTRCYP2C9USP2LMNATBXA2R |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |