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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL629655 | 0.90 | GSK3A (0.52) | GSK3AGSK3BCCR6 | |
| Acetic Acid SCHEMBL21834859 | 0.83 | FFAR3 (0.39) | GLACA12CA1CA9 | |
| Acetic Acid SCHEMBL482738 | 0.83 | FFAR3 (0.39) | GLACA12CA1CA9 | |
| SCHEMBL16694538 | 0.82 | GSK3A (0.48) | GSK3AGSK3BCCR6 | |
| Acetic Acid SCHEMBL208214 | 0.81 | GSK3A (0.65) | GSK3AGSK3BCCR6 | |
| Acetic Acid SCHEMBL22472233 | 0.79 | GSK3A (0.61) | GSK3AGSK3BCCR6 | |
| SCHEMBL4526900 | 0.74 | GSK3A (0.39) | GSK3AGSK3BCCR6GLA | |
| Bicarbonate SCHEMBL14917 | 0.73 | CA1 (0.38) | CA12CA1CA9 | |
| Bicarbonate SCHEMBL6150295 | 0.73 | CA1 (0.38) | CA12CA1CA9 | |
| SCHEMBL6270994 | 0.73 | — | — |
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-117658565-A | Epoxy resin-cement-based quick repair material with network interpenetrating structure, and preparation method and application thereof | 青岛理工大学 | 2024-03-08 | — | — | CN | disclosed |
| CN-115089758-A | Preparation method of percutaneous puncture plugging material | 苏州茵络医疗器械有限公司 | 2022-09-23 | — | — | CN | disclosed |