Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650747 | 0.71 | SMN1; SMN2 (0.42) | SMN1; SMN2CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL22650746 | 0.69 | SMN1; SMN2 (0.45) | SMN1; SMN2CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL24021324 | 0.62 | CDK4 (0.35) | CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL22650600 | 0.61 | MAPK14 (0.40) | SMN1; SMN2CDK1CDK2L3MBTL1APAF1 | |
| SCHEMBL22650364 | 0.60 | CDK4 (0.37) | SMN1; SMN2CDK2CDK5CDK5R1 | |
| SCHEMBL22650372 | 0.60 | SMN1; SMN2 (0.36) | SMN1; SMN2CDK2CDK5CDK5R1 | |
| SCHEMBL19397176 | 0.60 | SMN1; SMN2 (0.51) | SMN1; SMN2CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL20600683 | 0.59 | SMN1; SMN2 (0.46) | SMN1; SMN2CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL26515108 | 0.59 | SMN1; SMN2 (0.50) | SMN1; SMN2CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL16938822 | 0.58 | HCAR3 (0.43) | SMN1; SMN2CDK2TDP1 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |