Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 17/20 | 0.40 |
| ▸ | ATR | Q13535 | 15/20 | 0.40 |
| ▸ | ATRIP | Q8WXE1 | 15/20 | 0.40 |
| ▸ | ATM | Q13315 | 9/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 15/20 | 0.39 |
| ▸ | MTOR | P42345 | 7/20 | 0.38 |
| ▸ | SERPINA2 | P20848 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27123798 | 1.00 | PRKDC (0.40) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL21541757 | 1.00 | PRKDC (0.40) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL21541719 | 0.91 | PRKDC (0.38) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL30359438 | 0.91 | PRKDC (0.38) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL21541852 | 0.90 | PRKDC (0.39) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL30359398 | 0.90 | PRKDC (0.39) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL21541724 | 0.88 | PRKDC (0.40) | PRKDCATRATRIPATMPIK3CB | |
| SCHEMBL30359448 | 0.87 | MELK (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9IDO1 | |
| SCHEMBL21541807 | 0.87 | MELK (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9IDO1 | |
| SCHEMBL21541715 | 0.82 | PRKDC (0.37) | PRKDCATRATRIPATMPIK3CB |
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-110167941-B | Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof | 上海瑛派药业有限公司 | 2023-04-04 | — | — | CN | claimed |
| CN-110167941-B | Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof | 上海瑛派药业有限公司 | 2023-04-04 | — | — | CN | disclosed |