Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetic Acid Pentyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Octyl Acetate SCHEMBL27849660 | 0.98 | ALDH1A1 (0.61) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Tetradecylacetate SCHEMBL633019 | 0.98 | ALDH1A1 (0.61) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Acetic Acid Butyl Ester SCHEMBL2700544 | 0.94 | ALDH1A1 (0.72) | ALDH1A1TSHRMAPTKDM4EDUSP3 | |
| Acetic Acid Pentyl Ester SCHEMBL2269446 | 0.93 | ALDH1A1 (0.55) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Acetic Acid Pentyl Ester SCHEMBL27678839 | 0.93 | ALDH1A1 (0.60) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Hexyl Acetate SCHEMBL896029 | 0.92 | ALDH1A1 (0.53) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Tetradecylacetate SCHEMBL466058 | 0.92 | ALDH1A1 (0.53) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Acetic Acid Butyl Ester SCHEMBL28255898 | 0.91 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPTKDM4EDUSP3 | |
| Acetic Acid Pentyl Ester SCHEMBL27737254 | 0.90 | ALDH1A1 (0.71) | ALDH1A1TSHRNAAAMAPTEPHX1 | |
| Acetic Acid Pentyl Ester SCHEMBL27372452 | 0.89 | ALDH1A1 (0.63) | ALDH1A1TSHRNAAAEPHX1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114787717-A | Processing liquid and pattern forming method | 富士胶片株式会社 | 2022-07-22 | — | — | CN | disclosed |
| CN-101084017-B | Bioadhesive composition with progressive release | INTERPHARM DEV SA | 2012-11-14 | — | — | CN | disclosed |
| CN-101084017-A | Bioadhesive composition with progressive release | INTERPHARM DEV SA (CH) | 2007-12-05 | — | — | CN | disclosed |