Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.64 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.59 |
| ▸ | CLK2 | P49760 | 3/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.57 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.57 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.56 |
| ▸ | BRAF | P15056 | 1/20 | 0.55 |
| ▸ | CSF1R | P07333 | 1/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | CDK7 | P50613 | 1/20 | 0.53 |
| ▸ | ULK1 | O75385 | 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 | |
|---|---|---|---|---|
| SCHEMBL29172484 | 1.00 | PDPK1 (0.64) | PDPK1NTRK1CLK2DYRK1ANPC1 | |
| SCHEMBL2861637 | 0.92 | PDPK1 (0.59) | PDPK1NTRK1CLK2DYRK1ANPC1 | |
| SCHEMBL29172502 | 0.89 | DYRK1A (0.61) | NTRK1CLK2DYRK1ANPC1RAB9A | |
| SCHEMBL30725858 | 0.89 | DYRK1A (0.61) | NTRK1CLK2DYRK1ANPC1RAB9A | |
| SCHEMBL30725877 | 0.88 | CDK7 (0.67) | NTRK1CLK2DYRK1ALRRK2AURKA | |
| SCHEMBL29172495 | 0.88 | CDK7 (0.67) | NTRK1CLK2DYRK1ALRRK2AURKA | |
| SCHEMBL30725862 | 0.88 | PIM1 (0.60) | PDPK1CLK2DYRK1ALRRK2AURKA | |
| SCHEMBL29172527 | 0.88 | PIM1 (0.60) | PDPK1CLK2DYRK1ALRRK2AURKA | |
| SCHEMBL5394136 | 0.85 | LRRK2 (0.57) | PDPK1DYRK1ANPC1RAB9ALRRK2 | |
| SCHEMBL30725856 | 0.85 | LRRK2 (0.68) | LRRK2BRAF |
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 |