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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL17786017 | 0.92 | FFAR3 (0.46) | FFAR3LCKFYNTP53LMNA | |
| Acetic Acid SCHEMBL27623967 | 0.91 | — | — | |
| SCHEMBL71 | 0.91 | — | — | |
| SCHEMBL19840129 | 0.91 | — | — | |
| SCHEMBL167720 | 0.91 | LMNA (0.46) | FFAR3LCKFYNTP53LMNA | |
| Charcoal, Activated SCHEMBL29904853 | 0.87 | — | — | |
| SCHEMBL290386 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL31258460 | 0.87 | — | — | |
| Acetone SCHEMBL5542143 | 0.87 | LMNA (0.55) | FFAR3LCKFYNTP53LMNA | |
| Water SCHEMBL9956155 | 0.87 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009377-A4 | MEDICAL USES OF PYRUVATES | UNIV CASE WESTERN RESERVE (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6086789-A | SKIN INJURIES | CASE WESTERN RESERVE UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| EP-1009377-A1 | MEDICAL USES OF PYRUVATES | Case Western Reserve University (US) | 2000-06-21 | — | — | EP | disclosed |
| US-5968727-A | SOLUTION FOR LONG TERM PRESERVATION OF TRANSPLANTABLE ORGANS DEPRIVED OF OXYGEN | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5876916-A | ADMINISTRATION OF GLYCEROL-PYRUVATE OR HYDROXYACETONE PYRUVATE ESTER WITH BIOCOMPATIBLE CARRIER TO MAMMALS; AS HIGH CALORIE FOOD, ANTICHOLESTEROL AGENTS, ANTIISHEMIC AGENTS, ORGAN PRESERVATIVE, ANTIDIABETIC AGENTS | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0888267-A1 | NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998051277-A1 | MEDICAL USES OF PYRUVATES | CASE WESTERN RESERVE UNIVERSITY (US) | 1998-11-19 | — | — | WO | disclosed |
| WO-1997034856-A1 | NOVEL PYRUVATE COMPOUNDS AND METHODS FOR USE THEREOF | CASE WESTERN RESERVE UNIVERSITY (US) | 1997-09-25 | — | — | WO | disclosed |