Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 6/20 | 0.78 |
| ▸ | LMNA | P02545 | 1/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
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 SCHEMBL2211356 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL2409419 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL7091348 | 0.97 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL1096735 | 0.94 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL18492853 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL15443206 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL6066779 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL15546159 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL1017696 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8175646 | 0.94 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113009062-B | Rehmannia root medicinal material, rehmannia root decoction piece and identification method of patent medicine prepared from rehmannia root decoction piece | 广州白云山中一药业有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-113009062-A | Rehmannia root medicinal material, rehmannia root decoction piece and identification method of patent medicine prepared from rehmannia root decoction piece | 广州白云山中一药业有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-1832943-A | Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity | MERCK & CO INC (US) | 2006-09-13 | — | — | CN | disclosed |
| US-6441000-B1 | DISEASES MEDIATED BY OPIATE RECEPTORS | PFIZER INC | 2002-08-27 | — | — | US | disclosed |
| US-5302716-A | Fused benzazepines | SCHERING CORPORATION (US) | 1994-04-12 | — | — | US | disclosed |
| US-4973586-A | ANTIDEPRESSANT, ANALGESICS, HYPOTENSIVE AGENT | SCHERING CORPORATION (US) | 1990-11-27 | — | — | US | disclosed |
| EP-0230270-B1 | FUSED BENZAZEPINES | SCHERING CORPORATION (US) | 1990-08-01 | — | — | EP | disclosed |
| EP-0254737-B1 | FUSED BENZAZEPINES | SCHERING CORPORATION (US) | 1990-07-25 | — | — | EP | disclosed |
| EP-0182349-B1 | BIS(ARYLPIPERAZINYL)SULFUR COMPOUNDS | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1989-04-26 | — | — | EP | disclosed |
| EP-0230270-A2 | Fused benzazepines | SCHERING CORPORATION (US) | 1987-07-29 | — | — | EP | disclosed |