Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 7/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | CCNK | O75909 | 4/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | DDO | Q99489 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23148011 | 1.00 | NUDT1 (0.42) | NUDT1SNCACCNKCDK12IDO1 | |
| SCHEMBL29722004 | 0.85 | IDO1 (0.49) | NUDT1SNCACCNKCDK12IDO1 | |
| SCHEMBL3008612 | 0.85 | IDO1 (0.49) | NUDT1SNCACCNKCDK12IDO1 | |
| SCHEMBL29721660 | 0.84 | NUDT1 (0.54) | NUDT1SNCACCNKCDK12CCNT1 | |
| SCHEMBL23147720 | 0.82 | NUDT1 (0.46) | NUDT1CCNKCDK12DAOAURKA | |
| SCHEMBL23147741 | 0.81 | NUDT1 (0.43) | NUDT1CCNKCDK12AURKAAURKB | |
| SCHEMBL29721951 | 0.81 | NUDT1 (0.43) | NUDT1CCNKCDK12AURKAAURKB | |
| SCHEMBL23148103 | 0.77 | KDM4E (0.43) | NUDT1IDO1CCNT1CDK9 | |
| SCHEMBL23147877 | 0.77 | CDC7 (0.43) | NUDT1CCNKCDK12CDK9ROCK2 | |
| SCHEMBL29721706 | 0.77 | CDC7 (0.43) | NUDT1CCNKCDK12CDK9ROCK2 |
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-114746090-A | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 结核病药物开发全球联盟公司 | 2022-07-12 | — | — | CN | disclosed |