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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL2386665 | 0.90 | — | — | |
| Iodide SCHEMBL8208145 | 0.88 | KDM4E (0.33) | KDM4EMAPTAPOBEC3G | |
| Bromide SCHEMBL2812024 | 0.88 | KDM4E (0.33) | KDM4EMAPTAPOBEC3G | |
| Sulfuric Acid SCHEMBL3116950 | 0.87 | KDM4E (0.33) | KDM4EMAPTAPOBEC3G | |
| Bromide SCHEMBL28391846 | 0.86 | KDM4E (0.33) | KDM4EMAPTAPOBEC3G | |
| SCHEMBL14118825 | 0.84 | KDM4E (0.31) | KDM4EMAPTAPOBEC3G | |
| SCHEMBL27944936 | 0.83 | KDM4E (0.31) | KDM4EMAPTAPOBEC3G | |
| SCHEMBL28391843 | 0.83 | KDM4E (0.31) | KDM4EMAPTAPOBEC3G | |
| Acetic Acid SCHEMBL5801691 | 0.82 | — | — | |
| SCHEMBL20858988 | 0.81 | TSHR (0.33) | — |
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-113786711-A | Method for recovering chlorine-containing volatile organic compounds in organic waste gas by using ionic liquid | 郑州中科新兴产业技术研究院 | 2021-12-14 | — | — | CN | claimed |