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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2919287 | 0.92 | DNM1 (0.55) | BCHEDNM1ALDH1A1KDM4EANPEP | |
| SCHEMBL2840755 | 0.92 | DNM1 (0.55) | BCHEDNM1ALDH1A1KDM4EANPEP | |
| SCHEMBL893963 | 0.80 | BCHE (0.63) | BCHEDNM1ALDH1A1KDM4EANPEP | |
| SCHEMBL11300746 | 0.79 | ALDH1A1 (0.49) | BCHEDNM1ALDH1A1ANPEPCYP1A2 | |
| Acetic Acid SCHEMBL10842577 | 0.78 | HDAC8 (0.60) | KDM4ESMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL2922183 | 0.78 | DNM1 (0.55) | DNM1ALDH1A1S1PR2S1PR4S1PR1 | |
| SCHEMBL17111238 | 0.78 | S1PR2 (0.62) | BCHEDNM1ALDH1A1KDM4ES1PR2 | |
| SCHEMBL28389149 | 0.78 | S1PR2 (0.62) | BCHEDNM1ALDH1A1KDM4ES1PR2 | |
| SCHEMBL14681028 | 0.78 | DNM1 (0.55) | BCHEDNM1ALDH1A1KDM4ES1PR2 | |
| SCHEMBL2305792 | 0.78 | DNM1 (0.55) | BCHEDNM1ALDH1A1KDM4ES1PR2 |
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-117776997-A | Preparation method of nitrogen-protected 3-hydroxy azetidine | 风火轮(上海)生物科技有限公司 | 2024-03-29 | — | — | CN | disclosed |