Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28794887 | 0.78 | ALDH1A1 (0.33) | ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL2566736 | 0.76 | — | — | |
| SCHEMBL626596 | 0.75 | — | — | |
| SCHEMBL626597 | 0.75 | — | — | |
| SCHEMBL18823326 | 0.75 | — | — | |
| SCHEMBL11569759 | 0.75 | — | — | |
| SCHEMBL7516108 | 0.75 | — | — | |
| SCHEMBL19003640 | 0.75 | — | — | |
| SCHEMBL11249353 | 0.71 | — | — | |
| SCHEMBL11249346 | 0.71 | — | — |
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-116947695-B | Preparation method and application of 1,3, 6-hexanetrinitrile | 上海如鲲新材料股份有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-116947695-A | Preparation method and application of 1,3, 6-hexanetrinitrile | 上海如鲲新材料股份有限公司 | 2023-10-27 | — | — | CN | disclosed |