Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 3/20 | 0.34 |
| ▸ | LITAF | Q99732 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29646043 | 0.97 | BRD4 (0.39) | BRD4PDE9AADORA2ATP53PAK1 | |
| SCHEMBL29645911 | 0.88 | CLK2 (0.33) | — | |
| SCHEMBL29645614 | 0.88 | TTK (0.39) | BRD4ADORA2ATP53TTK | |
| SCHEMBL29646004 | 0.86 | MAPT (0.39) | TP53 | |
| SCHEMBL29645561 | 0.85 | MAP3K5 (0.34) | PIK3CA | |
| SCHEMBL29645641 | 0.84 | TP53 (0.39) | ADORA2ATP53TNFLITAFTTK | |
| SCHEMBL29646080 | 0.82 | MAPT (0.40) | TP53 | |
| SCHEMBL29645741 | 0.81 | KDM4E (0.48) | ADORA2ATP53 | |
| SCHEMBL29645807 | 0.81 | TP53 (0.39) | TP53TTK | |
| SCHEMBL22988377 | 0.81 | ADORA2A (0.38) | BRD4PDE9AADORA2APAK1 |
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 |