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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | FDPS | P14324 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PON1 | P27169 | 2/20 | 0.31 |
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 SCHEMBL28802050 | 0.98 | SMN1; SMN2 (0.46) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetic Acid SCHEMBL28506136 | 0.93 | FDPS (0.43) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Phosphoric Acid SCHEMBL28823586 | 0.91 | FDPS (0.49) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Sulfuric Acid SCHEMBL21313347 | 0.91 | SMN1; SMN2 (0.41) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetone SCHEMBL28930504 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetic Acid SCHEMBL29142241 | 0.90 | FDPS (0.41) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bromide SCHEMBL28437157 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bromide SCHEMBL28087170 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Oxalic Acid SCHEMBL29142284 | 0.87 | FDPS (0.42) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bromide SCHEMBL28918678 | 0.86 | SMN1; SMN2 (0.52) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 |
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-105921172-A | Application of ionic liquid in synthesis of propylene glycol ether and propylene glycol ether synthesis method | 中国科学院过程工程研究所 | 2016-09-07 | — | — | CN | disclosed |