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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.72 |
| ▸ | METTL3 | Q86U44 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | TTR | P02766 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | FABP2 | P12104 | 1/20 | 0.60 |
| ▸ | RXRA | P19793 | 1/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.60 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.60 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.60 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.60 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3810321 | 0.97 | PTGS2 (0.76) | PTGS2METTL3MEN1MAPK1KMT2A | |
| Acetic Acid SCHEMBL16049910 | 0.83 | METTL3 (0.71) | PTGS2METTL3MEN1MAPK1KMT2A | |
| Meclofenamic Acid SCHEMBL28346421 | 0.80 | PTGS2 (0.67) | PTGS2METTL3MEN1MAPK1KMT2A | |
| Acetic Acid SCHEMBL28346642 | 0.80 | MT-CO2 (0.56) | PTGS2MEN1KMT2AAKR1B10ABCB11 | |
| SCHEMBL4434232 | 0.79 | METTL3 (0.76) | PTGS2METTL3MEN1MAPK1KMT2A | |
| SCHEMBL29481381 | 0.79 | METTL3 (0.76) | PTGS2METTL3MEN1MAPK1KMT2A | |
| SCHEMBL12608889 | 0.79 | PTGS2 (0.74) | PTGS2METTL3MEN1MAPK1KMT2A | |
| Hydrochloric Acid SCHEMBL2582024 | 0.78 | METTL3 (0.74) | PTGS2METTL3MEN1MAPK1KMT2A | |
| SCHEMBL9268418 | 0.78 | PTGS2 (0.77) | PTGS2METTL3MEN1MAPK1KMT2A | |
| SCHEMBL9734401 | 0.76 | PTGS2 (0.75) | PTGS2METTL3MEN1MAPK1KMT2A |
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-104706630-B | Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates | 于崇曦 | 2020-01-10 | — | — | CN | claimed |
| 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 |