Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 4/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL27920597 | 0.74 | CDK5 (0.46) | KDM4CCDK5CDK5R1ADORA2A | |
| SCHEMBL29797941 | 0.74 | KDM4C (0.41) | KDM4CCDK5CDK5R1ABCG2ABCB1 | |
| SCHEMBL442421 | 0.73 | KDM4C (0.46) | KDM4CCDK5CDK5R1ABCG2ABCB1 | |
| SCHEMBL6131064 | 0.72 | ABCG2 (0.53) | ADORA2AABCG2ABCB1CTSKCLK4 | |
| SCHEMBL30629328 | 0.72 | ABCG2 (0.49) | ABCG2XDHCTSKMET | |
| SCHEMBL29640777 | 0.69 | KDM4E (0.53) | — | |
| SCHEMBL31754617 | 0.69 | KDM4E (0.53) | — | |
| SCHEMBL28893597 | 0.68 | EGLN2 (0.42) | ADORA2AMCL1 | |
| SCHEMBL30968251 | 0.68 | KDM4C (0.47) | KDM4CCDK5CDK5R1 | |
| SCHEMBL13739095 | 0.67 | TAAR1 (0.42) | KDM4CCDK5CDK5R1MET |
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-113767092-B | Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine | 劲方医药科技(上海)有限公司 | 2024-07-16 | — | — | CN | disclosed |