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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 4/20 | 0.54 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | TYR | P14679 | 1/20 | 0.76 |
| ▸ | ESRRG | P62508 | 8/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | ESRRB | O95718 | 2/20 | 0.50 |
| ▸ | UQCRB | P14927 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27559753 | 0.93 | LMNA (0.80) | LMNATYRESRRGESR1ESR2 | |
| Acetone SCHEMBL28065830 | 0.88 | LMNA (0.73) | LMNATYRESRRGESR1ESR2 | |
| SCHEMBL19157 | 0.87 | LMNA (1.00) | LMNATYRESRRGESR1ESR2 | |
| Bisphenol A SCHEMBL10555851 | 0.86 | ESR1 (0.76) | LMNATYRESRRGESR1ESR2 | |
| Formaldehyde SCHEMBL332381 | 0.85 | LMNA (0.84) | LMNATYRESRRGESR1ESR2 | |
| SCHEMBL8980535 | 0.85 | LMNA (0.94) | LMNATYRESRRGESR1ESR2 | |
| Hydrochloric Acid SCHEMBL6851208 | 0.85 | LMNA (0.94) | LMNATYRESRRGESR1ESR2 | |
| SCHEMBL10921845 | 0.85 | LMNA (0.94) | LMNATYRESRRGESR1ESR2 | |
| Hydrogen Sulfide SCHEMBL20597835 | 0.85 | LMNA (0.94) | LMNATYRESRRGESR1ESR2 | |
| SCHEMBL31543747 | 0.85 | LMNA (0.94) | LMNATYRESRRGESR1ESR2 |
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-109265343-B | Preparation method of diphenyl carbonate compound | 中国石油化工股份有限公司 | 2021-04-13 | — | — | CN | disclosed |