Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | NAAA | Q02083 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| Heptylacetate SCHEMBL28774439 | 1.00 | ALDH1A1 (0.71) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Nonylacetate SCHEMBL27709810 | 1.00 | ALDH1A1 (0.71) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Hexyl Acetate SCHEMBL27730086 | 1.00 | ALDH1A1 (0.71) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Acetic Acid Hexadecyl Ester SCHEMBL28770257 | 1.00 | ALDH1A1 (0.71) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Octyl Acetate SCHEMBL3674843 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Dodecylacetate SCHEMBL8359359 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Nonylacetate SCHEMBL28469869 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Nonylacetate SCHEMBL8054597 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Tridecylacetate SCHEMBL29005826 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 | |
| Hexyl Acetate SCHEMBL20874997 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRLMNAEPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101234971-B | Method for synthesizing phenylacetic acid ester derivatives and application for products thereof | ZHENGZHOU TOBACCO RES CNTC | 2010-10-13 | — | — | CN | disclosed |
| CN-101234971-A | Method for synthesizing phenylacetic acid ester derivatives and application for products thereof | ZHENGZHOU TOBACCO RES CNTC (CN) | 2008-08-06 | — | — | CN | disclosed |