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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL8359214 | 0.90 | LMNA (0.43) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetone SCHEMBL9472113 | 0.87 | LMNA (0.40) | TSHRALDH1A1LMNATDP1CA4 | |
| Acetic Acid SCHEMBL28343178 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL28907430 | 0.86 | — | — | |
| Acetic Acid SCHEMBL5035361 | 0.86 | — | — | |
| Acetic Acid SCHEMBL2706810 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL10680248 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL6905387 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL282406 | 0.86 | — | — | |
| Acetic Acid SCHEMBL27652008 | 0.86 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113759066-B | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-113759066-A | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2021-12-07 | — | — | CN | claimed |
| CN-117288842-A | Treatment method of water-soluble components in allium macrostemon, thin-layer identification method and application of developing agent | 成都华神科技集团股份有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-113759066-B | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113759066-B | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113759066-A | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113759066-A | Thin-layer identification method for allium macrostemon test sample | 北京康仁堂药业有限公司 | 2021-12-07 | — | — | CN | disclosed |