Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 13/20 | 0.39 |
| ▸ | CX3CR1 | P49238 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23500838 | 1.00 | CXCR2 (0.39) | CXCR2CX3CR1TLR8TLR7APP | |
| SCHEMBL29653671 | 0.85 | TLR8 (0.34) | TLR8TLR7APP | |
| SCHEMBL23500832 | 0.85 | TLR8 (0.43) | CXCR2CX3CR1TLR8TLR7KCNH2 | |
| SCHEMBL23500833 | 0.85 | TLR8 (0.43) | CXCR2CX3CR1TLR8TLR7KCNH2 | |
| SCHEMBL23514066 | 0.85 | TLR8 (0.34) | TLR8TLR7APP | |
| SCHEMBL30827111 | 0.81 | KCNH2 (0.37) | TLR8TLR7KCNH2 | |
| SCHEMBL23513853 | 0.81 | KCNH2 (0.37) | TLR8TLR7KCNH2 | |
| SCHEMBL23500163 | 0.79 | NPC1 (0.40) | TLR7APP | |
| SCHEMBL23500558 | 0.79 | NPC1 (0.40) | TLR7APP | |
| SCHEMBL23500158 | 0.79 | NPC1 (0.40) | TLR7APP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555565-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-114555565-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |
| 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 |