Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.32 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL31290291 | 0.81 | CTSS (0.42) | ATRCA1CA2CTSSLMNA | |
| SCHEMBL20865565 | 0.78 | ATR (0.40) | ATRLCKCA1CA2CTSS | |
| SCHEMBL6124199 | 0.72 | MEN1 (0.43) | ATRCA1CA2CTSSLMNA | |
| SCHEMBL31124393 | 0.72 | ATR (0.37) | ATRCA1CA2CTSSLMNA | |
| SCHEMBL28561049 | 0.72 | LCK (0.41) | ATRLCKCA1CA12CA9 | |
| SCHEMBL31124321 | 0.71 | ATR (0.41) | ATRLCKCA1CA12CA9 | |
| SCHEMBL6124198 | 0.71 | ATR (0.36) | ATRCA1CA2CTSSLMNA | |
| SCHEMBL31124503 | 0.71 | CA1 (0.39) | ATRCA1CA2CA12CA9 | |
| SCHEMBL25863102 | 0.71 | ATR (0.36) | ATRLCKCA1CA2CA12 | |
| SCHEMBL3126895 | 0.70 | ATR (0.43) | ATRLCKCA1CA12CA9 |
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-117425656-A | Purine derivatives as anticancer agents | 探戈医药股份有限公司 | 2024-01-19 | — | — | CN | disclosed |