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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.51 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.86 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
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 SCHEMBL9331813 | 1.00 | ALDH1A1 (0.86) | ALDH1A1CES2CES1TSHRALOX15 | |
| Methyl Alcohol SCHEMBL28023109 | 0.93 | ALDH1A1 (0.91) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL29004189 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL29518925 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL29369803 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL367 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL8482425 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL431318 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL6915177 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CES2CES1TSHRALOX15 | |
| SCHEMBL6913277 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CES2CES1TSHRALOX15 |
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-114989106-A | Novel crystal form of chlorobenzoic acid and preparation method thereof | 齐鲁制药有限公司 | 2022-09-02 | — | — | CN | disclosed |