Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL9720409 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRNAAACES2 | |
| Dodecylacetate SCHEMBL6666620 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRNAAACES2 | |
| Octyl Acetate SCHEMBL6670972 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRNAAACES2 | |
| Acetic Acid Butyl Ester SCHEMBL2467140 | 0.94 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRNAAACES2 | |
| Acetic Acid Pentyl Ester SCHEMBL11668869 | 0.89 | ALDH1A1 (0.61) | ALDH1A1TSHRNAAACES2EPHX1 | |
| Methyl Isobutyl Ketone SCHEMBL28832473 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRCES2FFAR1 | |
| Acetic Acid Pentyl Ester SCHEMBL27737254 | 0.84 | ALDH1A1 (0.71) | ALDH1A1TSHRNAAACES2EPHX1 | |
| Methyl Isobutyl Ketone SCHEMBL2340589 | 0.84 | ALDH1A1 (0.74) | ALDH1A1TDP1CES2EPHX1FFAR1 | |
| Methyl Isobutyl Ketone SCHEMBL5000849 | 0.84 | ALDH1A1 (0.74) | ALDH1A1TDP1CES2EPHX1FFAR1 | |
| Acetic Acid Pentyl Ester SCHEMBL10663 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110087894-A | Resin composition for protective layer of transfer paper, process for producing the resin composition, and decorative transfer paper | 三菱化学株式会社 | 2019-08-02 | — | — | CN | disclosed |