Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RNASEH1 | O60930 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7416029 | 0.80 | CYP1A2 (0.30) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL2804373 | 0.80 | PIN1 (0.44) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL11008167 | 0.80 | PIN1 (0.44) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL651 | 0.77 | PIN1 (0.42) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL27263844 | 0.77 | PIN1 (0.42) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL6494249 | 0.76 | HCAR2 (0.43) | PIN1RNASEH1 | |
| SCHEMBL2685839 | 0.76 | PIN1 (0.41) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL7885514 | 0.76 | PIN1 (0.41) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL10404550 | 0.76 | PIN1 (0.41) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL7300490 | 0.74 | HCAR2 (0.44) | PIN1CYP1A2MAPK1CASP1CYP2C19 |
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 |