Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 3/20 | 0.47 |
| ▸ | CTRC | Q99895 | 3/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.45 |
| ▸ | CDK8 | P49336 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29020164 | 0.90 | CHEK1 (0.57) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29961571 | 0.90 | CHEK1 (0.57) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29020112 | 0.88 | CHEK1 (0.53) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29961693 | 0.88 | CHEK1 (0.53) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29961338 | 0.84 | CHEK1 (0.50) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL31123027 | 0.84 | CHEK1 (0.50) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29020180 | 0.84 | CHEK1 (0.50) | CHEK1CCNCCDK8PIM1PIM2 | |
| SCHEMBL29020229 | 0.83 | MCL1 (0.44) | MCL1KMOCTRCPIM1PIM2 | |
| SCHEMBL29961367 | 0.83 | MCL1 (0.44) | MCL1KMOCTRCPIM1PIM2 | |
| SCHEMBL21001267 | 0.82 | MCL1 (0.61) | MCL1KMOCTRCADORA3 |
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 3 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 |
| WO-2023040830-A1 | AHR INHIBITOR, USE THEREOF, AND PREPARATION METHOD THEREFOR | 北京华森英诺生物科技有限公司 | 2023-03-23 | — | — | WO | 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 |