Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dihydroxyacetone. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Dihydroxyacetone SCHEMBL8046819 | 1.00 | FFAR3 (0.54) | FFAR3LCKFYNOR51E2LMNA | |
| Dihydroxyacetone SCHEMBL5542140 | 0.88 | LMNA (0.50) | FFAR3LCKFYNOR51E2LMNA | |
| Acetic Acid SCHEMBL1409006 | 0.88 | — | — | |
| Pyruvate SCHEMBL342381 | 0.86 | OR51E2 (0.42) | FFAR3LCKFYNOR51E2LMNA | |
| Dihydroxyacetone SCHEMBL17786015 | 0.84 | CA1 (0.46) | FFAR3OR51E2LMNATDP1EGLN1 | |
| Dihydroxyacetone SCHEMBL28636804 | 0.84 | — | — | |
| Dihydroxyacetone SCHEMBL2555249 | 0.83 | OR51E2 (0.40) | OR51E2TDP1ACE | |
| Dihydroxyacetone SCHEMBL70 | 0.83 | — | — | |
| Acetic Acid SCHEMBL8780995 | 0.80 | — | — | |
| Glycolic Acid SCHEMBL8054489 | 0.80 | FFAR3 (0.58) | FFAR3LCKFYNOR51E2LMNA |
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 10 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 |
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4226866-A | BACTERICIDES, ACYLATION | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |