Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| SCHEMBL442421 | 0.73 | KDM4C (0.46) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL17694181 | 0.72 | KDM4C (0.40) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL2804255 | 0.70 | KDM4C (0.40) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL630634 | 0.68 | HDAC6 (0.41) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL2655553 | 0.67 | NPC1 (0.46) | — | |
| SCHEMBL23416935 | 0.67 | KDM4C (0.38) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL21144214 | 0.67 | KDM4C (0.41) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL22470596 | 0.67 | KDM4C (0.38) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL15219273 | 0.67 | KDM4C (0.38) | KDM4CHDAC1HDAC6CDK5CDK5R1 | |
| SCHEMBL1968856 | 0.67 | ALDH1A1 (0.52) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020224656-A1 | BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-11-12 | — | — | WO | claimed |
| WO-2024061370-A1 | PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2024-03-28 | — | — | WO | disclosed |
| WO-2024061366-A1 | SMALL MOLECULE COMPOUND HAVING PHOSPHORYLATED ARYL STRUCTURE, AND USE THEREOF | 杭州天玑济世生物科技有限公司 | 2024-03-28 | — | — | WO | disclosed |
| WO-2021239058-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-12-02 | — | — | WO | disclosed |
| WO-2021160109-A1 | DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2021-08-19 | — | — | WO | disclosed |
| US-4388465-A | Preparation of phenoxy-azolyl-butanone derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1983-06-14 | — | — | US | disclosed |