Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.77 |
| ▸ | LMNA | P02545 | 5/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 6/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.72 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.69 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.69 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL110764 | 0.97 | ALDH1A1 (0.81) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL29714768 | 0.97 | ALDH1A1 (0.81) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL29832337 | 0.97 | ALDH1A1 (0.81) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL29932757 | 0.97 | ALDH1A1 (0.81) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL16144187 | 0.96 | ALDH1A1 (0.71) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL30392171 | 0.95 | ALDH1A1 (0.79) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL20183154 | 0.93 | ALDH1A1 (0.71) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL26053208 | 0.92 | ALDH1A1 (0.75) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL29818617 | 0.92 | LMNA (0.75) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL3754816 | 0.92 | ALDH1A1 (0.66) | ALDH1A1CYP3A4LMNAHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3296285-B1 | ESTER-BASED COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR PREPARING SAME, AND RESIN COMPOSITION CONTAINING SAME | LG CHEMICAL LTD (KR) | 2019-04-24 | — | — | EP | disclosed |