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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8527135 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL11012463 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL1058300 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL9098767 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL3634629 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL4649683 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNLMNABLM | |
| Acetic Acid SCHEMBL220259 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL344632 | 0.84 | — | — | |
| Acetic Acid SCHEMBL3420431 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 | |
| Acetic Acid SCHEMBL20617 | 0.84 | FFAR3 (0.58) | FFAR3LCKFYNGLRA1SLC6A9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003356-A | Thermal gels-EDTA derivative and preparation method and the application in adsorption of metal ions | 南京理工大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-108078982-A | Purposes of the proline derivative in beta-lactamase inhibitor is prepared | 天津大学 | 2018-05-29 | — | — | CN | disclosed |
| CN-108084075-A | Proline derivative with beta-lactam enzyme inhibition | 天津大学 | 2018-05-29 | — | — | CN | disclosed |