Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | FLT1 | P17948 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24134367 | 0.83 | OPRK1 (0.37) | ABL1OPRK1NLRP3PIK3CDPIK3CA | |
| SCHEMBL30901779 | 0.83 | OPRK1 (0.37) | ABL1OPRK1NLRP3PIK3CDPIK3CA | |
| SCHEMBL30901713 | 0.78 | PIK3CD (0.36) | ABL1OPRK1NLRP3PIK3CDPIK3CA | |
| SCHEMBL23500968 | 0.75 | MAPK1 (0.34) | TDP1 | |
| SCHEMBL23500520 | 0.75 | NLRP3 (0.43) | NLRP3 | |
| SCHEMBL23151991 | 0.74 | ABL1 (0.36) | ABL1OPRK1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL23500553 | 0.73 | NLRP3 (0.42) | NLRP3PIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL23500556 | 0.73 | NLRP3 (0.42) | NLRP3PIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL23513842 | 0.72 | NLRP3 (0.39) | NLRP3PIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL24134218 | 0.72 | GABRG2 (0.36) | ABL1OPRK1NLRP3PIK3CDPIK3CA |
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 |