Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27984799 | 0.79 | ALDH1A1 (0.41) | NOS3NOS2KDM4EALDH1A1HTT | |
| SCHEMBL26194469 | 0.76 | NOS3 (0.30) | NOS3NOS2 | |
| SCHEMBL22549548 | 0.74 | HSD17B1 (0.36) | NOS3NOS2NOS1 | |
| SCHEMBL26862225 | 0.69 | — | — | |
| SCHEMBL12447675 | 0.69 | NOS3 (0.44) | NOS3NOS2KDM4EALDH1A1MEN1 | |
| SCHEMBL21343031 | 0.68 | USP2 (0.33) | KDM4EALDH1A1HTTCDK8CDK19 | |
| SCHEMBL27609812 | 0.66 | NOS3 (0.35) | NOS3NOS2KDM4EALDH1A1MEN1 | |
| SCHEMBL580504 | 0.65 | — | — | |
| SCHEMBL29593111 | 0.65 | — | — | |
| SCHEMBL30374657 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023274397-A1 | CDK2 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海拓界生物医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |