Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 3/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 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 | |
|---|---|---|---|---|
| SCHEMBL23513867 | 0.83 | APP (0.50) | TLR8TLR7APP | |
| SCHEMBL29653626 | 0.83 | APP (0.50) | TLR8TLR7APP | |
| SCHEMBL23514158 | 0.80 | TLR7 (0.45) | ILKTLR8TLR7APPLMNA | |
| SCHEMBL29653636 | 0.80 | TLR7 (0.45) | ILKTLR8TLR7APPLMNA | |
| SCHEMBL23500158 | 0.77 | NPC1 (0.40) | TLR7SMN1; SMN2APP | |
| SCHEMBL23500163 | 0.77 | NPC1 (0.40) | TLR7SMN1; SMN2APP | |
| SCHEMBL23500558 | 0.77 | NPC1 (0.40) | TLR7SMN1; SMN2APP | |
| SCHEMBL23513823 | 0.76 | APP (0.46) | ILKTLR7KCNH2CYP2C9APP | |
| SCHEMBL23500595 | 0.75 | APP (0.33) | KCNH2APP | |
| SCHEMBL23500838 | 0.75 | CXCR2 (0.39) | TLR8TLR7KCNH2CXCR2APP |
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 4 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 |
| 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 |