Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Acetate. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL7382473 | 1.00 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL390477 | 0.95 | — | — | |
| Ethyl Acetate SCHEMBL2764170 | 0.95 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL2336202 | 0.95 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL5862364 | 0.95 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL28321736 | 0.93 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL5502461 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL10517706 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL2010629 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Ethyl Acetate SCHEMBL4048106 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5463047-A | Intermediates for the manufacture of 4-acyloxy-3-hydroxyethylazetidinones | CIBA-GEIGY CORPORATION (US) | 1995-10-31 | — | — | US | disclosed |
| US-5386029-A | Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones | CIBA-GEIGY CORPORATION (US) | 1995-01-31 | — | — | US | disclosed |
| US-5274188-A | Process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones | CIBA-GEIGY CORPORATION (US) | 1993-12-28 | — | — | US | disclosed |
| US-4927507-A | Novel process for the manufacture of 4-acyloxy-3-hydroxyethyl-azetidinones | CIBA-GEIGY CORPORATION (US) | 1990-05-22 | — | — | US | disclosed |