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 | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.66 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.44 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.44 |
| ▸ | AVPR2 known ✓ | P30518 | 1/20 | 0.44 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.44 |
| ▸ | AVPR1A known ✓ | P37288 | 1/20 | 0.44 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 4/20 | 0.68 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.66 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| Cetalkonium SCHEMBL28013497 | 0.93 | DNM1 (0.84) | DNM1KMT2AMEN1TP53MAPK1 | |
| Cetalkonium SCHEMBL27726096 | 0.92 | DNM1 (0.81) | DNM1KMT2AMEN1TP53MAPK1 | |
| Acetic Acid SCHEMBL7764904 | 0.92 | DNM1 (0.65) | DNM1KMT2AMEN1TP53MAPK1 | |
| Benzododecinium SCHEMBL28443556 | 0.91 | MEN1 (0.82) | DNM1KMT2AMEN1TP53MAPK1 | |
| SCHEMBL4747603 | 0.89 | DNM1 (0.66) | DNM1KMT2AMEN1TP53MAPK1 | |
| SCHEMBL5452094 | 0.89 | DNM1 (0.66) | DNM1KMT2AMEN1TP53MAPK1 | |
| Cetalkonium SCHEMBL9739762 | 0.88 | DNM1 (0.87) | DNM1KMT2AMEN1TP53MAPK1 | |
| Benzododecinium SCHEMBL28637937 | 0.88 | DNM1 (0.87) | DNM1KMT2AMEN1TP53MAPK1 | |
| Cetalkonium SCHEMBL27585255 | 0.88 | DNM1 (0.74) | DNM1KMT2AMEN1TP53MAPK1 | |
| Cetalkonium SCHEMBL8162832 | 0.87 | DNM1 (0.79) | DNM1KMT2AMEN1TP53MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |