Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 8/20 | 0.60 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.60 |
| ▸ | PRKCB | P05771 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | PLK4 | O00444 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.44 |
| ▸ | FLT4 | P35916 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 2/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006403 | 1.00 | CDK4 (0.60) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006733 | 0.85 | SIRT2 (0.53) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006734 | 0.84 | CDK4 (0.59) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006432 | 0.84 | SIRT2 (0.58) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006726 | 0.83 | SIRT2 (0.50) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006730 | 0.83 | CDK4 (0.58) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006388 | 0.80 | RAB9A (0.54) | CDK4CDK6SIRT2SIRT1ALDH1A1 | |
| SCHEMBL28006737 | 0.79 | SIRT2 (0.57) | CDK4CDK6PRKCBSIRT2SIRT1 | |
| SCHEMBL28006727 | 0.79 | ALDH1A1 (0.57) | CDK4PRKCBSIRT2SIRT1ALDH1A1 | |
| SCHEMBL28006731 | 0.79 | ALDH1A1 (0.57) | CDK4PRKCBSIRT2SIRT1ALDH1A1 |
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-104496970-A | 3,4-bi(3-indole)-2,5-dione-3-pyrrolineimine compound, preparation method of compound and application of compound in anti-cancer drug | UNIV HENAN NORMAL | 2015-04-08 | — | — | CN | disclosed |