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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF4A3 | P38919 | 1/20 | 0.53 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 12/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 12/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | CDC42 | P60953 | 1/20 | 0.50 |
| ▸ | RAC1 | P63000 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL9172508 | 0.91 | UGT2B7 (0.60) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 | |
| Hydrogen Peroxide SCHEMBL9840257 | 0.91 | UGT2B7 (0.60) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 | |
| SCHEMBL181347 | 0.85 | UGT2B7 (0.58) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 | |
| SCHEMBL11470486 | 0.85 | AKR1C3 (0.69) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL30031337 | 0.85 | UGT2B7 (0.58) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 | |
| Hydrogen Peroxide SCHEMBL8096014 | 0.84 | UGT2B7 (0.72) | UGT2B7CYP1A2TSHRMMP9 | |
| SCHEMBL10457062 | 0.84 | CYP2A6 (0.56) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 | |
| Ammonia Solution, Strong SCHEMBL11721423 | 0.84 | AKR1C3 (0.67) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL8081677 | 0.84 | KDM4E (0.55) | EIF4A3UGT2B7AKR1C3AKR1C2 | |
| Water SCHEMBL9862280 | 0.83 | UGT2B7 (0.56) | EIF4A3UGT2B7AKR1C3AKR1C2PTGS2 |
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-111068774-A | Catalyst for synthesizing 2,6-naphthalene dicarboxylic acid and application thereof | 中国石油化工股份有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-111068774-A | Catalyst for synthesizing 2,6-naphthalene dicarboxylic acid and application thereof | 中国石油化工股份有限公司 | 2020-04-28 | — | — | CN | disclosed |