Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 7/20 | 0.51 |
| ▸ | IDH2 | P48735 | 2/20 | 0.49 |
| ▸ | IL1B | P01584 | 9/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29155947 | 1.00 | CHEK2 (0.53) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL30054441 | 0.94 | IL1B (0.53) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL29155909 | 0.94 | IL1B (0.53) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL30684869 | 0.94 | IL1B (0.53) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL29326816 | 0.94 | IL1B (0.53) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL29974705 | 0.87 | NLRP3 (0.56) | CHEK2CHEK1NLRP3IDH2IL1B | |
| SCHEMBL29975632 | 0.86 | NLRP3 (0.55) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL24696179 | 0.85 | NLRP3 (0.54) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL29326441 | 0.84 | NLRP3 (0.53) | NLRP3IL1BKCNH2TNF | |
| SCHEMBL24695701 | 0.83 | NLRP3 (0.54) | NLRP3IL1BKCNH2TNF |
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-117222626-A | Substituted triazine compounds | 安斯泰来制药株式会社 | 2023-12-12 | — | — | CN | disclosed |