Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | TTK | P33981 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29645717 | 0.91 | FLT3 (0.32) | BRD4CREBBPPDK2PDK4TTK | |
| SCHEMBL29645810 | 0.87 | ADORA3 (0.35) | BRD4ADORA3ADORA2AADORA1KDM1A | |
| SCHEMBL29646046 | 0.87 | ADORA1 (0.36) | BRD4ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL29645614 | 0.86 | TTK (0.39) | BRD4ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL29645875 | 0.86 | AXL (0.37) | BRD4ADORA3ADORA2AADORA1KDM1A | |
| SCHEMBL29645910 | 0.85 | KDM4E (0.44) | ADORA3ADORA2AADORA1 | |
| SCHEMBL29646062 | 0.84 | ADORA3 (0.34) | BRD4ADORA3ADORA2AADORA1TTK | |
| SCHEMBL29645782 | 0.84 | MAPT (0.43) | ADORA3ADORA2AADORA1KDM1A | |
| SCHEMBL29646019 | 0.84 | MET (0.33) | BRD4ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL29645725 | 0.84 | TP53 (0.35) | ADORA3ADORA2AADORA1ADORA2BTTK |
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-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | claimed |