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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 4/20 | 0.46 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.30 |
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 SCHEMBL2771587 | 0.95 | GABRR1 (0.46) | GABRR1GABRR2BLMGABRR3LMNA | |
| Butanone SCHEMBL28968426 | 0.82 | TDP1 (0.50) | GABRR1GABRR2BLMGABRR3LMNA | |
| SCHEMBL28968388 | 0.82 | GABRR1 (0.39) | GABRR1GABRR2BLMGABRR3LMNA | |
| Acetic Acid SCHEMBL9155150 | 0.80 | CA1 (0.38) | GABRR1GABRR2BLMGABRR3LMNA | |
| Acetic Acid SCHEMBL9563365 | 0.80 | CA1 (0.38) | GABRR1GABRR2BLMGABRR3LMNA | |
| SCHEMBL9159914 | 0.80 | — | — | |
| SCHEMBL1691477 | 0.76 | — | — | |
| Acetic Acid SCHEMBL9812224 | 0.76 | GABRR1 (0.48) | GABRR1GABRR2BLMGABRR3LMNA | |
| Ethane SCHEMBL28893899 | 0.74 | GABRR1 (0.36) | GABRR1GABRR2BLMGABRR3LMNA | |
| Propane SCHEMBL8008493 | 0.74 | — | — |
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-116216724-A | Impurity remover for high-boiling-point substances of polysilicon and application thereof | 华陆工程科技有限责任公司 | 2023-06-06 | — | — | CN | disclosed |
| US-5441852-A | Replaces formaldehyde with a meta substituted benzaldehyde | KONICA CORPORATION (JP) | 1995-08-15 | — | — | US | disclosed |