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 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL358256 | 0.92 | TYR (0.43) | CA1CA2TYRKDM4ECA12 | |
| Methoxymethane SCHEMBL28577263 | 0.90 | TYR (0.42) | CA1CA2TYRABCB1KDM4E | |
| SCHEMBL2535572 | 0.83 | KDM4E (0.49) | CA1CA2PTPN1KDM4EAPP | |
| SCHEMBL10875625 | 0.83 | KDM4E (0.49) | CA1CA2PTPN1KDM4EAPP | |
| Benzene SCHEMBL28275342 | 0.81 | CA1 (0.49) | CA1CA2ABCB1KDM4EAPP | |
| SCHEMBL313564 | 0.79 | CA1 (0.40) | CA1CA2TYRPTPN1KDM4E | |
| Cis/Trans-Isoeugenol SCHEMBL18263901 | 0.79 | TYR (0.70) | CA1CA2TYRABCB1KDM4E | |
| SCHEMBL29730906 | 0.78 | PDE4A (0.39) | CA1CA2TYRPTPN1KDM4E | |
| SCHEMBL28518886 | 0.78 | MAPT (0.56) | CA1CA2TYRPTPN1KDM4E | |
| SCHEMBL25322106 | 0.78 | TYR (0.46) | CA1CA2TYRPTPN1KDM4E |
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-114674950-B | Method for quantitatively determining anesthetic | 衢州市疾病预防控制中心 | 2024-01-09 | — | — | CN | claimed |
| CN-114674950-B | Method for quantitatively determining anesthetic | 衢州市疾病预防控制中心 | 2024-01-09 | — | — | CN | disclosed |