Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | LTK | P29376 | 1/20 | 0.31 |
| ▸ | GRK5 | P34947 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 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 | |
|---|---|---|---|---|
| SCHEMBL23930845 | 0.83 | GPR35 (0.33) | — | |
| SCHEMBL21879898 | 0.81 | NPSR1 (0.34) | NPSR1KDM4EDAPK3JAK2PRKD3 | |
| SCHEMBL15071850 | 0.79 | NPSR1 (0.41) | NPSR1CYP1A2CYP2C19KDM4EDAPK3 | |
| SCHEMBL21879873 | 0.70 | KRAS (0.30) | — | |
| SCHEMBL21880088 | 0.69 | NPSR1 (0.39) | NPSR1CYP1A2CYP2C19KDM4EDAPK3 | |
| SCHEMBL21879924 | 0.69 | NPSR1 (0.35) | NPSR1KDM4EDAPK3JAK2PRKD3 | |
| SCHEMBL21879989 | 0.67 | NPSR1 (0.50) | NPSR1KDM4EDAPK3JAK2PRKD3 | |
| SCHEMBL21879927 | 0.67 | NPSR1 (0.36) | NPSR1CYP1A2CYP2C19KDM4EDAPK3 | |
| SCHEMBL23422043 | 0.66 | SMN1; SMN2 (0.40) | NPSR1KDM4E | |
| SCHEMBL23421998 | 0.66 | SMN1; SMN2 (0.45) | NPSR1KDM4E |
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-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |