Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 18/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3159181 | 0.82 | TBK1 (0.41) | TBK1CCNKCDK12ATRATRIP | |
| SCHEMBL3044658 | 0.76 | ATR (0.38) | TBK1ATRATRIP | |
| SCHEMBL13291505 | 0.72 | IDO1 (0.47) | TBK1 | |
| SCHEMBL28768696 | 0.72 | IDO1 (0.40) | TBK1CCNKCDK12 | |
| SCHEMBL27700323 | 0.72 | VEGFA (0.37) | TBK1CCNKCDK12 | |
| SCHEMBL12946264 | 0.70 | CHRM2 (0.44) | TBK1CCNKCDK12 | |
| SCHEMBL3047734 | 0.70 | VEGFA (0.40) | TBK1CCNKCDK12 | |
| SCHEMBL3046667 | 0.70 | IDO1 (0.42) | TBK1CCNKCDK12 | |
| SCHEMBL5047151 | 0.69 | TBK1 (0.40) | TBK1CCNKCDK12ATRATRIP | |
| SCHEMBL3039595 | 0.69 | NR1H2 (0.36) | TBK1ATRATRIP |
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-101163675-A | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KOGYO KK (JP) | 2008-04-16 | — | — | CN | disclosed |