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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.44 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL6013731 | 0.89 | ALDH1A1 (0.42) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL147273 | 0.87 | KDM4E (0.42) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL365802 | 0.87 | KDM4E (0.42) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| Methyl Phosphonate SCHEMBL5010319 | 0.84 | ALDH1A1 (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| Boric Acid SCHEMBL1568788 | 0.83 | ALDH1A1 (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL22734786 | 0.83 | PTPRC (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL22763791 | 0.83 | PTPRC (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL22734772 | 0.83 | PTPRC (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL22734807 | 0.83 | PTPRC (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL22763310 | 0.83 | PTPRC (0.41) | KDM4EMAPTALDH1A1GAAHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10787579-B2 | Sensors and separation based on molecular recognition via electropolymerization and colloidal layer templates | UNIVERSITY OF HOUSTON SYSTEM (US) | 2020-09-29 | — | — | US | disclosed |
| US-20120263922-A1 | SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2012-10-18 | — | — | US | disclosed |
| WO-2012009239-A2 | SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2012-01-19 | — | — | WO | disclosed |