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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.48 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL538491 | 0.92 | GPBAR1 (0.54) | CYP1A2CYSLTR2CYSLTR1GPBAR1PDE10A | |
| Bromide SCHEMBL27600369 | 0.90 | GPBAR1 (0.52) | CYP1A2CYSLTR2CYSLTR1GPBAR1PDE10A | |
| Hydrochloric Acid SCHEMBL27600363 | 0.90 | GPBAR1 (0.52) | CYP1A2CYSLTR2CYSLTR1GPBAR1PDE10A | |
| SCHEMBL10910525 | 0.88 | GPBAR1 (0.51) | CYP1A2CYSLTR2CYSLTR1GPBAR1PDE10A | |
| SCHEMBL860157 | 0.86 | KCNH2 (0.58) | CYP1A2CYSLTR2CYSLTR1GPBAR1PDE10A | |
| SCHEMBL6114960 | 0.85 | KCNH2 (0.61) | CYP1A2CYSLTR2CYSLTR1GPBAR1LTB4R | |
| SCHEMBL797638 | 0.85 | KCNH2 (0.61) | CYP1A2CYSLTR2CYSLTR1GPBAR1LTB4R | |
| SCHEMBL6114801 | 0.85 | KCNH2 (0.61) | CYP1A2CYSLTR2CYSLTR1GPBAR1LTB4R | |
| SCHEMBL6115301 | 0.85 | KCNH2 (0.61) | CYP1A2CYSLTR2CYSLTR1GPBAR1LTB4R | |
| SCHEMBL2514450 | 0.85 | KCNH2 (0.61) | CYP1A2CYSLTR2CYSLTR1GPBAR1LTB4R |
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 |
|---|---|---|---|---|---|---|---|
| CN-117409889-A | Method for systematically screening ionic liquid as phase transfer catalyst for liquid-liquid heterogeneous reaction | 华东理工大学 | 2024-01-16 | — | — | CN | claimed |
| CN-117409889-A | Method for systematically screening ionic liquid as phase transfer catalyst for liquid-liquid heterogeneous reaction | 华东理工大学 | 2024-01-16 | — | — | CN | disclosed |