Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 15/20 | 0.35 |
| ▸ | IKBKE | Q14164 | 12/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20918320 | 0.79 | TBK1 (0.52) | TBK1IKBKE | |
| SCHEMBL28890140 | 0.76 | TBK1 (0.40) | AAK1TBK1IKBKE | |
| SCHEMBL1667272 | 0.65 | TBK1 (0.64) | TBK1IKBKE | |
| SCHEMBL12448385 | 0.63 | KMO (0.54) | AAK1TBK1IKBKE | |
| SCHEMBL14764257 | 0.62 | IKBKE (0.56) | AAK1TBK1IKBKE | |
| SCHEMBL1667429 | 0.61 | IKBKE (0.49) | AAK1TBK1IKBKE | |
| SCHEMBL1667504 | 0.61 | KMO (0.49) | AAK1TBK1IKBKE | |
| SCHEMBL27881108 | 0.60 | AAK1 (0.48) | AAK1 | |
| SCHEMBL1667622 | 0.60 | AAK1 (0.53) | AAK1 | |
| SCHEMBL20929439 | 0.60 | TBK1 (0.48) | TBK1IKBKE |
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-111247135-A | Pyrimidine T-K/I-K-P inhibitor compound and application thereof | 默克专利股份公司 | 2020-06-05 | — | — | CN | disclosed |