Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 13/20 | 0.52 |
| ▸ | GSK3B | P49841 | 14/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 12/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 12/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 12/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | CA6 | P23280 | 3/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 8/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.44 |
| ▸ | GSK3A | P49840 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | FLT4 | P35916 | 2/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28218315 | 0.86 | GSK3B (0.44) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL28218318 | 0.81 | CA1 (0.49) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL28217847 | 0.79 | CA1 (0.47) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL28217889 | 0.75 | CCNB2 (0.43) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL15759621 | 0.74 | CDK1 (0.72) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL28218316 | 0.73 | CFTR (0.34) | CA1CA2CA4CA6 | |
| SCHEMBL12698721 | 0.69 | CA1 (0.80) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL14499116 | 0.68 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL6102492 | 0.67 | CDK1 (1.00) | CDK1GSK3BCCNB2CCNB1CCNB3 | |
| SCHEMBL12249832 | 0.65 | CDK1 (0.84) | CDK1GSK3BCCNB2CCNB1CCNB3 |
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-108101912-A | Dihydrobenzene nitrogen Zhuo diindyl derivative and preparation method thereof | 浙江大学 | 2018-06-01 | — | — | CN | disclosed |