Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 5/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23500624 | 1.00 | KCNH2 (0.46) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL23500369 | 1.00 | KCNH2 (0.46) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL23500457 | 0.94 | KCNH2 (0.50) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL23513920 | 0.86 | KCNH2 (0.53) | KCNH2NLRP3PIK3CDPIK3R1PIK3CA | |
| SCHEMBL24134381 | 0.85 | PIK3CD (0.36) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL30901734 | 0.85 | PIK3CD (0.36) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL30901753 | 0.85 | PIK3CD (0.36) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL24134214 | 0.85 | PIK3CD (0.36) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| SCHEMBL24134202 | 0.85 | PIK3CD (0.36) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 | |
| Hydrochloric Acid SCHEMBL30901740 | 0.84 | PIK3CD (0.35) | KCNH2NLRP3IRAK4PIK3CDPIK3R1 |
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 |