Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23930918 | 0.81 | GABRA1 (0.36) | GABRA1GABRA5GABRG2GABRB3ALDH1A1 | |
| SCHEMBL23930860 | 0.81 | APOBEC3A (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19APOBEC3A | |
| SCHEMBL22697032 | 0.77 | MAPK1 (0.43) | ALDH1A1APOBEC3AAPOBEC3GMAPTHSD17B10 | |
| SCHEMBL21880074 | 0.74 | APOBEC3A (0.41) | CYP2C19APOBEC3AAPOBEC3GMAPTKDR | |
| SCHEMBL28811842 | 0.74 | KDR (0.47) | GABRA1GABRA5GABRG2GABRB3ALDH1A1 | |
| SCHEMBL29779714 | 0.73 | GABRA1 (0.43) | GABRA1GABRA5GABRG2GABRB3ALDH1A1 | |
| SCHEMBL22696692 | 0.72 | MAPK1 (0.43) | GABRA1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29779719 | 0.72 | PIK3CD (0.35) | GABRA1GABRA5GABRG2GABRB3APOBEC3A | |
| SCHEMBL21721397 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL29779717 | 0.68 | JAK2 (0.48) | APOBEC3AAPOBEC3GMAPTPIK3CD |
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 |