Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | NAAA | Q02083 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid Pentyl Ester SCHEMBL10663 | 0.97 | — | — | |
| Acetic Acid Pentyl Ester SCHEMBL8583803 | 0.97 | ALDH1A1 (0.85) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Decylacetate SCHEMBL155855 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Octyl Acetate SCHEMBL4344544 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Dodecylacetate SCHEMBL159219 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Tridecylacetate SCHEMBL157239 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL431526 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| SCHEMBL131668 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Nonylacetate SCHEMBL309051 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| SCHEMBL21044757 | 0.95 | ALDH1A1 (0.81) | ALDH1A1NAAATSHREPHX1HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000027787-A1 | METHOD OF PRODUCING ACETOXYARYL CARBOXYLIC ACIDS | EASTMAN CHEMICAL COMPANY (US) | 2000-05-18 | — | — | WO | claimed |
| WO-2000027787-A1 | METHOD OF PRODUCING ACETOXYARYL CARBOXYLIC ACIDS | EASTMAN CHEMICAL COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |
| WO-2000027787-A1 | METHOD OF PRODUCING ACETOXYARYL CARBOXYLIC ACIDS | EASTMAN CHEMICAL COMPANY (US) | 2000-05-18 | — | — | WO | disclosed |