Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | IL1B | P01584 | 3/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23501099 | 1.00 | KCNH2 (0.39) | KCNH2IRAK4IL1BTNFNLRP3 | |
| SCHEMBL23514071 | 0.81 | KCNH2 (0.47) | KCNH2 | |
| SCHEMBL23500253 | 0.80 | KCNH2 (0.45) | KCNH2IRAK4 | |
| SCHEMBL23500883 | 0.78 | KCNH2 (0.41) | KCNH2IRAK4 | |
| SCHEMBL23500988 | 0.78 | KCNH2 (0.41) | KCNH2IRAK4 | |
| SCHEMBL23513851 | 0.77 | KCNH2 (0.44) | KCNH2IRAK4NLRP3 | |
| SCHEMBL29653796 | 0.77 | KCNH2 (0.44) | KCNH2IRAK4NLRP3 | |
| SCHEMBL23500518 | 0.74 | ILK (0.44) | KCNH2 | |
| SCHEMBL23501096 | 0.71 | HRH4 (0.43) | KCNH2IRAK4IL1BTNFNLRP3 | |
| SCHEMBL23513867 | 0.69 | APP (0.50) | — |
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 |