Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.48 |
| ▸ | TEK | Q02763 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 8/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.43 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29961338 | 1.00 | CHEK1 (0.50) | CHEK1EPHB4TEKADORA3P2RY14 | |
| SCHEMBL29020112 | 0.87 | CHEK1 (0.53) | CHEK1ADORA3CCNCCDK8PIM1 | |
| SCHEMBL29961693 | 0.87 | CHEK1 (0.53) | CHEK1ADORA3CCNCCDK8PIM1 | |
| SCHEMBL29961571 | 0.86 | CHEK1 (0.57) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29020164 | 0.86 | CHEK1 (0.57) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL22407207 | 0.85 | ABL1 (0.50) | CHEK1ADORA3KDM2BKDM4CKCNH2 | |
| SCHEMBL29020125 | 0.84 | CHEK1 (0.53) | CHEK1ADORA3CCNCCDK8PIM1 | |
| SCHEMBL22407180 | 0.83 | EPHB4 (0.45) | CHEK1EPHB4TEKADORA3NPBWR1 | |
| SCHEMBL30085755 | 0.83 | TEK (0.49) | CHEK1EPHB4TEKADORA3NPBWR1 | |
| SCHEMBL28894724 | 0.83 | TEK (0.49) | CHEK1EPHB4TEKADORA3NPBWR1 |
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-115093400-B | AhR inhibitor, application and preparation method thereof | 北京华森英诺生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-115093400-A | AhR inhibitor and application and preparation method thereof | 重庆华森制药股份有限公司 | 2022-09-23 | — | — | CN | disclosed |