Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.57 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.56 |
| ▸ | CDK2 | P24941 | 1/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.55 |
| ▸ | JAK3 | P52333 | 1/20 | 0.55 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.54 |
| ▸ | RET | P07949 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7543664 | 0.79 | RET (0.52) | PDGFRBRETMEN1KMT2ATGM2 | |
| SCHEMBL7238212 | 0.79 | RET (0.55) | RETMEN1KMT2ATGM2 | |
| SCHEMBL7238205 | 0.79 | RET (0.55) | RETMEN1KMT2ATGM2 | |
| 5-Nitroisatin SCHEMBL27856567 | 0.75 | CAPN9 (0.85) | GSK3BCAPN9CASP3CCNE1CDK2 | |
| SCHEMBL11882118 | 0.75 | SMN1; SMN2 (0.57) | PDGFRBRETTGM2EGFR | |
| SCHEMBL3752053 | 0.74 | NOX4 (0.70) | GSK3BCAPN9CASP3CCNE1CDK2 | |
| SCHEMBL1851095 | 0.74 | RET (0.67) | GSK3BCCNE1CDK2PDGFRBJAK3 | |
| SCHEMBL13080904 | 0.74 | RET (0.67) | GSK3BCCNE1CDK2PDGFRBJAK3 | |
| SCHEMBL1851097 | 0.74 | RET (0.67) | GSK3BCCNE1CDK2PDGFRBJAK3 | |
| SCHEMBL7479233 | 0.74 | GSK3B (0.51) | GSK3BCAPN9CASP3CCNE1CDK2 |
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-111285872-B | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-111285872-A | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2020-06-16 | — | — | CN | disclosed |