Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.56 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.55 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LATS1 | O95835 | 1/20 | 0.46 |
| ▸ | LATS2 | Q9NRM7 | 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 | |
|---|---|---|---|---|
| SCHEMBL29653618 | 1.00 | KCNH2 (0.56) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL23500416 | 1.00 | KCNH2 (0.56) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL22806213 | 0.88 | TLR8 (0.73) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL23500961 | 0.86 | KCNH2 (0.48) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL29653710 | 0.86 | KCNH2 (0.48) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL4535279 | 0.86 | KCNH2 (0.48) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL23500313 | 0.79 | NLRP3 (0.68) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL29653704 | 0.79 | NLRP3 (0.68) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL23500306 | 0.79 | NLRP3 (0.68) | KCNH2TLR8TLR7CYP2D6DRD1 | |
| SCHEMBL13975545 | 0.78 | KCNH2 (0.84) | KCNH2TLR8TLR7CYP2D6DRD1 |
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 |