Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 3/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21536748 | 0.77 | SMN1; SMN2 (0.39) | SMN1; SMN2ADORA2BADORA2A | |
| SCHEMBL5579371 | 0.77 | ALDH1A1 (0.41) | SMN1; SMN2ADORA2BADORA2A | |
| SCHEMBL16441112 | 0.76 | TLR8 (0.52) | — | |
| SCHEMBL17829996 | 0.74 | TLR8 (0.52) | KCNH2 | |
| SCHEMBL16441111 | 0.74 | SMN1; SMN2 (0.37) | SMN1; SMN2PDE7AADORA2BADORA2A | |
| SCHEMBL16441145 | 0.70 | TLR8 (0.60) | KCNH2 | |
| SCHEMBL17830003 | 0.70 | TLR8 (0.60) | KCNH2 | |
| SCHEMBL22448316 | 0.69 | TLR8 (0.62) | KCNH2 | |
| SCHEMBL29653626 | 0.65 | APP (0.50) | APP | |
| SCHEMBL23513867 | 0.65 | APP (0.50) | APP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |