Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28356743 | 0.79 | ALDH1A1 (0.36) | POLBALDH1A1STAT3PDGFRACDK5 | |
| SCHEMBL28501470 | 0.78 | ALDH1A1 (0.34) | ALDH1A1STAT3PDGFRACDK5TYRO3 | |
| SCHEMBL31223908 | 0.74 | XDH (0.33) | ALDH1A1NCEH1MEN1KMT2A | |
| SCHEMBL29213689 | 0.71 | NOS3 (0.34) | ALDH1A1NCEH1MEN1KMT2A | |
| SCHEMBL27812573 | 0.70 | PTGDR2 (0.39) | CYP2A6ALDH1A1CCR5PTGDR2 | |
| SCHEMBL28353031 | 0.70 | ALDH1A1 (0.40) | POLBALDH1A1STAT3CES1MEN1 | |
| SCHEMBL27686826 | 0.68 | ALDH1A1 (0.41) | CYP2A6ALDH1A1CCR5MEN1KMT2A | |
| SCHEMBL27593276 | 0.68 | PTGDR2 (0.34) | POLBCYP2A6ALDH1A1CCR5PTGDR2 | |
| SCHEMBL28995156 | 0.67 | ALDH1A1 (0.36) | ALDH1A1NCEH1 | |
| SCHEMBL28250213 | 0.66 | KDM4E (0.37) | POLBCYP2A6ALDH1A1MEN1KMT2A |
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-106749214-A | Containing 1,3 benzoxazole difluoro methylene indole ketone compounds and preparation method thereof | 上海大学 | 2017-05-31 | — | — | CN | disclosed |