Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 1/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Indazole SCHEMBL28450230 | 0.82 | CDK2 (0.56) | CDK2HSP90AA1IDO1ABCB1MAPT | |
| Indazole SCHEMBL7371212 | 0.79 | HSP90AA1 (0.95) | CDK2HSP90AA1IDO1ABCB1MAPT | |
| SCHEMBL30469212 | 0.78 | TERT (0.53) | MAPTROCK2CYP3A4DYRK1AFGFR1 | |
| Indazole SCHEMBL6295 | 0.77 | — | — | |
| Indazole SCHEMBL29355507 | 0.77 | — | — | |
| Indazole SCHEMBL1221882 | 0.77 | HSP90AA1 (1.00) | CDK2HSP90AA1IDO1ABCB1MAPT | |
| Indazole SCHEMBL3364757 | 0.77 | CDK2 (0.68) | CDK2HSP90AA1IDO1ABCB1MAPT | |
| SCHEMBL15515501 | 0.76 | CYP3A4 (0.58) | MAPTROCK2CYP3A4GSK3BGAA | |
| Indazole SCHEMBL5420749 | 0.75 | HSP90AA1 (0.95) | CDK2HSP90AA1IDO1ABCB1MAPT | |
| Indazole SCHEMBL21058156 | 0.75 | HSP90AA1 (0.95) | CDK2HSP90AA1IDO1ABCB1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109180741-A | Ruthenium (II) complex and its preparation method and application for treating gastric cancer | 广西中医药大学 | 2019-01-11 | — | — | CN | disclosed |