Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521892 | 0.75 | TYRO3 (0.34) | CYP1A2RPS6KA3TYRO3DYRK1BPRKD3 | |
| SCHEMBL1219980 | 0.74 | TYRO3 (0.50) | RPS6KA3TYRO3DYRK1BPRKD3MAP4K4 | |
| SCHEMBL20075992 | 0.72 | CYP1A2 (0.42) | CYP1A2PDE3BPDE3A | |
| SCHEMBL15915542 | 0.71 | RET (0.52) | RPS6KA3TYRO3DYRK1BPRKD3MAP4K4 | |
| SCHEMBL30328922 | 0.71 | RET (0.52) | RPS6KA3TYRO3DYRK1BPRKD3MAP4K4 | |
| SCHEMBL4406429 | 0.69 | CDK5 (0.42) | CYP1A2RPS6KA3TYRO3DYRK1BPRKD3 | |
| SCHEMBL28529536 | 0.69 | CYP1A2 (0.63) | CYP1A2KDM4EALDH1A1GAAPDE3B | |
| SCHEMBL979601 | 0.67 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL650127 | 0.65 | MAPK1 (0.56) | CYP1A2JAK2CDK8 | |
| SCHEMBL18238553 | 0.65 | RPS6KA3 (0.38) | CYP1A2RPS6KA3TYRO3DYRK1BPRKD3 |
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-108473476-B | Alkynyl heterocyclic compounds for inhibiting protein kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2021-02-19 | — | — | CN | disclosed |