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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL156218 | 0.90 | SLC6A2 (0.61) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL1617492 | 0.79 | SLC6A2 (0.42) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| Acetic Acid SCHEMBL29749190 | 0.79 | GABBR2 (0.50) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| Acetic Acid SCHEMBL2393284 | 0.79 | GABBR2 (0.50) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| Phenylpropanolamine SCHEMBL11412171 | 0.79 | KDM4E (0.83) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL7876564 | 0.77 | GABBR2 (0.53) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL12418041 | 0.76 | KDM4E (0.59) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL5172179 | 0.76 | KDM4E (0.59) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL4272229 | 0.76 | KDM4E (0.59) | ADRA2AADRA2CLMNAHIF1AKDM4E | |
| SCHEMBL9190252 | 0.76 | KDM4E (0.59) | ADRA2AADRA2CLMNAHIF1AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5567411-A | ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT | STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) | 1996-10-22 | — | — | US | disclosed |