Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 9/20 | 0.55 |
| ▸ | CDK2 | P24941 | 6/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28320166 | 0.86 | CDK1 (0.50) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL14039518 | 0.75 | CDK1 (0.71) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL7707871 | 0.75 | CDK1 (0.61) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL24474439 | 0.73 | CDK1 (0.58) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL27560688 | 0.72 | CDK2 (0.61) | CDK1CDK2CCNB1CCNE1CCNA2 | |
| SCHEMBL756644 | 0.72 | CDK1 (1.00) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL29611365 | 0.72 | CDK1 (1.00) | CDK1CDK2CCNB1CCNE1ADORA2A | |
| SCHEMBL31576041 | 0.72 | USP1 (0.42) | CDK1CDK2CCNB1CCNE1 | |
| SCHEMBL19111968 | 0.71 | CDK2 (0.48) | CDK1CDK2CCNB1CCNE1CCNA2 | |
| SCHEMBL784159 | 0.70 | CDK2 (0.73) | CDK1CDK2CCNB1CCNE1ADORA2A |
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-110256436-A | Purine compound as Trk kinase inhibitor | 南京雷正医药科技有限公司 | 2019-09-20 | — | — | CN | disclosed |