Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | KRAS | P01116 | 5/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29122054 | 1.00 | ROCK1 (0.42) | ROCK1USP30KRASIDO1TDO2 | |
| SCHEMBL29121890 | 0.86 | ELANE (0.46) | ROCK1USP30KRASIDO1TDO2 | |
| SCHEMBL30676565 | 0.86 | ELANE (0.46) | ROCK1USP30KRASIDO1TDO2 | |
| SCHEMBL31018877 | 0.83 | ATM (0.38) | CNR1 | |
| SCHEMBL29121838 | 0.82 | USP30 (0.41) | ROCK1USP30KRASIDO1TDO2 | |
| SCHEMBL30676388 | 0.78 | BTK (0.45) | USP30KRASIDO1TDO2CNR1 | |
| SCHEMBL29121705 | 0.78 | BTK (0.45) | USP30KRASIDO1TDO2CNR1 | |
| SCHEMBL29121569 | 0.78 | BTK (0.45) | USP30KRASIDO1TDO2CNR1 | |
| SCHEMBL29121565 | 0.78 | BTK (0.45) | USP30KRASIDO1TDO2CNR1 | |
| SCHEMBL30676570 | 0.78 | BTK (0.45) | USP30KRASIDO1TDO2CNR1 |
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-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |