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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
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 SCHEMBL28013533 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL28371765 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL2264348 | 0.98 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL11027649 | 0.98 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL29257732 | 0.98 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Hexane SCHEMBL5393958 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL27623309 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL27622625 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Ethyl Acetate SCHEMBL2675053 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR | |
| Heptane SCHEMBL10665572 | 0.94 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10SMN1; SMN2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11207871-A | — | — | None | — | — | JP | disclosed |
| CN-112789109-A | Photocatalyst-supporting structure and method for producing same | 太阳工业株式会社 | 2021-05-11 | — | — | CN | disclosed |
| JP-H11207871-A | BLIND | NIPPON SODA CO LTD | 1999-08-03 | — | — | JP | disclosed |