Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5726023 | 0.95 | CYP11B1 (0.50) | CYP11B1CYP11B2MAPK1TLR8CA12 | |
| SCHEMBL8799103 | 0.94 | CYP11B1 (0.49) | CYP11B1CYP11B2MAPK1TLR8GRM2 | |
| SCHEMBL7424605 | 0.83 | CYP11B1 (0.59) | CYP11B1CYP11B2MAPK1CA12CA1 | |
| SCHEMBL6336700 | 0.83 | CYP11B1 (0.41) | CYP11B1CYP11B2MAPK1TLR8GRM2 | |
| SCHEMBL23930976 | 0.82 | ALDH1A1 (0.40) | CYP11B1CYP11B2CA12CA1CA2 | |
| SCHEMBL15202361 | 0.82 | GABRA1 (0.47) | CYP11B1CYP11B2CNR1ALDH1A1CYP1A2 | |
| SCHEMBL27264726 | 0.80 | CYP11B1 (0.45) | CYP11B1CYP11B2MAPK1CA1CA2 | |
| SCHEMBL31203889 | 0.79 | CYP11B1 (0.49) | CYP11B1CYP11B2MAPK1GRM2HTR7 | |
| SCHEMBL18185717 | 0.79 | CYP11B1 (0.55) | CYP11B1CYP11B2MAPK1GRM2HTR7 | |
| SCHEMBL31332952 | 0.79 | CYP11B1 (0.55) | CYP11B1CYP11B2MAPK1GRM2HTR7 |
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 |