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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 19/20 | 0.66 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.66 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.66 |
| ▸ | GLO1 | Q04760 | 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 | |
|---|---|---|---|---|
| SCHEMBL9736467 | 0.94 | AKR1B1 (0.64) | AKR1B1AKR1A1AKR1B10GLO1 | |
| SCHEMBL4560794 | 0.80 | AKR1B1 (0.69) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Zopolrestat SCHEMBL8505122 | 0.79 | AKR1B1 (1.00) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Zopolrestat SCHEMBL49012 | 0.79 | AKR1B1 (1.00) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Zopolrestat SCHEMBL29353641 | 0.79 | AKR1B1 (1.00) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Zopolrestat SCHEMBL8129027 | 0.79 | AKR1B1 (0.98) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Zopolrestat SCHEMBL7565103 | 0.78 | AKR1B1 (0.84) | AKR1B1AKR1A1AKR1B10GLO1 | |
| SCHEMBL9529254 | 0.78 | AKR1B1 (0.68) | AKR1B1AKR1A1AKR1B10GLO1 | |
| Methane SCHEMBL10422319 | 0.77 | AKR1B1 (0.67) | AKR1B1AKR1A1AKR1B10GLO1 | |
| SCHEMBL20696627 | 0.76 | AKR1B1 (0.78) | AKR1B1AKR1A1AKR1B10GLO1 |
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-2032145-A2 | STRUCTURAL-BASED INHIBITORS OF THE GLUTATHIONE BINDING SITE IN ALDOSE REDUCTASE, METHODS OF SCREENING THEREFOR AND METHODS OF USE | The Board of Regents of The University of Texas System (US) | 2009-03-11 | — | — | EP | claimed |
| WO-2008002678-A2 | STRUCTURAL-BASED INHIBITORS OF THE GLUTATHIONE BINDING SITE IN ALDOSE REDUCTASE, METHODS OF SCREENING THEREFOR AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-01-03 | — | — | WO | claimed |