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 | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3805715 | 0.96 | MT-CO2 (0.59) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| Acetic Acid SCHEMBL28343505 | 0.81 | LMNA (0.54) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL12447795 | 0.80 | HPGD (0.71) | MEN1LMNAKMT2ATDP1KDM4E | |
| Acetic Acid SCHEMBL28343515 | 0.80 | PTGS2 (0.72) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| Hydrochloric Acid SCHEMBL11570162 | 0.79 | ALDH1A1 (0.62) | LMNACYP3A4CYP2C9TDP1KDM4E | |
| Mefenamic Acid SCHEMBL28343523 | 0.78 | LMNA (0.63) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL4427765 | 0.77 | CHRM1 (0.54) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL29481378 | 0.77 | CHRM1 (0.54) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| SCHEMBL12608894 | 0.76 | MT-CO2 (0.60) | MT-CO2PTGS1PTGS2MEN1AKR1B10 | |
| Hydrochloric Acid SCHEMBL2584597 | 0.76 | CHRM1 (0.53) | MT-CO2PTGS1PTGS2MEN1AKR1B10 |
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 |