Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 1/20 | 0.67 |
| ▸ | JAK2 | O60674 | 1/20 | 0.65 |
| ▸ | JAK1 | P23458 | 1/20 | 0.65 |
| ▸ | AURKA | O14965 | 1/20 | 0.64 |
| ▸ | CLK2 | P49760 | 3/20 | 0.64 |
| ▸ | CLK3 | P49761 | 3/20 | 0.64 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.64 |
| ▸ | ITK | Q08881 | 3/20 | 0.63 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.61 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.55 |
| ▸ | F12 | P00748 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172495 | 1.00 | CDK7 (0.67) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL8251866 | 0.90 | JAK2 (0.74) | CDK7JAK2JAK1AURKAITK | |
| SCHEMBL30725858 | 0.90 | DYRK1A (0.61) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL29172497 | 0.90 | LRRK2 (0.58) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL29172502 | 0.90 | DYRK1A (0.61) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL30725869 | 0.90 | LRRK2 (0.58) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL29172484 | 0.88 | PDPK1 (0.64) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL30725844 | 0.88 | PDPK1 (0.64) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL30725862 | 0.88 | PIM1 (0.60) | CDK7JAK2JAK1AURKACLK2 | |
| SCHEMBL29172527 | 0.88 | PIM1 (0.60) | CDK7JAK2JAK1AURKACLK2 |
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-117186066-A | Indazole ALK5 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-12-08 | — | — | CN | disclosed |