Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL22720430 | 1.00 | NOS3 (0.32) | NOS3NOS2MMP14NR4A2 | |
| SCHEMBL24832712 | 0.80 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL9721211 | 0.80 | DAO (0.32) | — | |
| SCHEMBL23137517 | 0.80 | — | — | |
| SCHEMBL21608277 | 0.78 | NOS2 (0.52) | NOS3NOS2 | |
| SCHEMBL23234668 | 0.78 | HRH4 (0.33) | NOS3NOS2 | |
| SCHEMBL29008177 | 0.77 | NOS3 (0.32) | NOS3NOS2 | |
| SCHEMBL22720468 | 0.76 | L3MBTL1 (0.37) | NOS3NOS2 | |
| SCHEMBL29713484 | 0.76 | L3MBTL1 (0.37) | NOS3NOS2 | |
| SCHEMBL2906228 | 0.74 | KMO (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118745176-A | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-08 | — | — | CN | disclosed |
| CN-118745177-A | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-08 | — | — | CN | disclosed |
| CN-113423703-B | Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-114008037-B | Heterocyclic compounds as KRAS G12C inhibitors | 广东新契生物医药科技有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-116490188-A | Salt and crystal form of nitrogen-containing heterocyclic derivative, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-113248521-B | K-RAS G12C inhibitor and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-116249703-A | Macrocyclic K-RAS G12C inhibitor, preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-06-09 | — | — | CN | disclosed |
| WO-2022134773-A1 | MACROCYCLIC K-RAS G12C INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-06-30 | — | — | WO | disclosed |
| EP-3990448-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C | Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) | 2022-05-04 | — | — | EP | disclosed |