Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29232467 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK9ELANEPRMT5 | |
| SCHEMBL167879 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL3818456 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL763959 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK9ELANEPRMT5 | |
| SCHEMBL3078957 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL20354279 | 0.80 | GABRA1 (0.44) | ALDH1A1HSD17B10MAPK9ELANEPRMT5 | |
| SCHEMBL30122894 | 0.78 | MAPK9 (0.39) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL5540249 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL23232240 | 0.77 | ALDH1A1 (0.37) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 | |
| SCHEMBL20306283 | 0.77 | ALDH1A1 (0.37) | ALDH1A1HSD17B10MAPK9PRMT5CCNE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118047780-A | Quinazoline heterocyclic compound and anti-infection and anti-tumor application thereof | 中国医学科学院药物研究所 | 2024-05-17 | — | — | CN | disclosed |
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |