Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28919282 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TDP1EPHX2 | |
| SCHEMBL22106322 | 0.93 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL22106596 | 0.93 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL22091890 | 0.91 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL28601370 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TDP1EPHX2 | |
| SCHEMBL22091885 | 0.83 | — | — | |
| SCHEMBL22091888 | 0.83 | — | — | |
| SCHEMBL22106556 | 0.75 | RARB (0.40) | — | |
| SCHEMBL22106321 | 0.73 | HRH3 (0.41) | — | |
| SCHEMBL22106316 | 0.71 | HRH3 (0.41) | ALDH1A1 |
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-113056459-A | Epoxy compound | 捷恩智株式会社 | 2021-06-29 | — | — | CN | disclosed |