Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.40 |
| ▸ | CDK1 | P06493 | 5/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.40 |
| ▸ | GSK3B | P49841 | 5/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.40 |
| ▸ | GSK3A | P49840 | 4/20 | 0.40 |
| ▸ | PRKCI | P41743 | 2/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4753601 | 1.00 | PARP1 (0.45) | PARP1HTTDAOCCNB2CDK1 | |
| SCHEMBL1665498 | 0.80 | PARP1 (0.42) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL1058944 | 0.78 | CCNB2 (0.38) | PARP1HTTCCNB2CDK1CCNB1 | |
| SCHEMBL4365192 | 0.78 | KDM4C (0.41) | DAOCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL17645730 | 0.77 | DAO (0.42) | DAOCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL20449743 | 0.77 | DAO (0.42) | PARP1DAOCCNB2CDK1CCNB1 | |
| SCHEMBL4371769 | 0.77 | GAA (0.41) | HTTDAOCCNB2CDK1CCNB1 | |
| SCHEMBL22304188 | 0.74 | GSK3A (0.36) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29100896 | 0.74 | DAO (0.56) | PARP1DAOGSK3BCDK5GSK3A | |
| SCHEMBL8972110 | 0.74 | KDM4C (0.39) | HTTDAOCCNB2CDK1CCNB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110114357-B | Hetero-bicyclic compounds useful as modulators of IL-12, IL-23, and/or IFN alpha response | 百时美施贵宝公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-114206883-A | Oxopyridine fused ring derivative and pharmaceutical composition comprising the same | 伟迈可生物有限公司 | 2022-03-18 | — | — | CN | disclosed |