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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.40 |
| ▸ | METTL3 | Q86U44 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.39 |
| ▸ | CLIC1 | O00299 | 1/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 SCHEMBL28346897 | 0.78 | ADRB2 (0.42) | GAARAB9AMAPTADRB2ADRB1 | |
| SCHEMBL10529916 | 0.74 | PTGS2 (0.47) | METTL3MAPK1GAARAB9AMAPT | |
| SCHEMBL28042276 | 0.73 | METTL3 (0.43) | METTL3MAPK1GAARAB9AMAPT | |
| Acetic Acid SCHEMBL28881803 | 0.73 | METTL3 (0.43) | METTL3NPSR1PTGS2MEN1KMT2A | |
| SCHEMBL4434238 | 0.65 | METTL3 (0.69) | METTL3MAPK1GAAMAPTPTGS2 | |
| Ethyl Benzoate SCHEMBL28486260 | 0.65 | LMNA (0.66) | MAPK1GAARAB9AMAPTMEN1 | |
| SCHEMBL8611754 | 0.64 | ALDH1A1 (0.62) | METTL3MAPK1GAARAB9AMAPT | |
| SCHEMBL7576854 | 0.64 | PTGS2 (0.51) | METTL3MAPK1GAAMAPTPTGS2 | |
| SCHEMBL10533120 | 0.64 | PTGS2 (0.52) | METTL3MAPK1GAAMAPTPTGS2 | |
| Ethyl Benzoate SCHEMBL11224121 | 0.64 | SMN1; SMN2 (0.59) | MAPK1GAARAB9AMAPTMEN1 |
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-104706630-B | Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates | 于崇曦 | 2020-01-10 | — | — | CN | disclosed |