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 | 5/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
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 SCHEMBL8145547 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11473005 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL1816268 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15443206 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL6066779 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL948368 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL18492853 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15546159 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL2309223 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15546699 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6166006-A | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| US-5463062-A | Inhibitors of glucose-6-phosphatase system | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |