Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | ITK | Q08881 | 1/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | NEK1 | Q96PY6 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12821554 | 0.79 | MAPT (0.47) | BTKITKNEK1NPC1MAOB | |
| SCHEMBL12821647 | 0.75 | BTK (0.55) | BTKITKNEK1NPC1 | |
| SCHEMBL29617015 | 0.74 | TP53 (0.62) | NPC1 | |
| SCHEMBL4193217 | 0.73 | TP53 (0.61) | — | |
| SCHEMBL1279082 | 0.71 | BTK (0.46) | BTKITKNPC1 | |
| SCHEMBL2404818 | 0.70 | NPC1 (0.59) | NPC1 | |
| SCHEMBL5863201 | 0.69 | TP53 (0.57) | — | |
| SCHEMBL7157646 | 0.69 | MAP4K4 (0.51) | NPC1 | |
| SCHEMBL11223090 | 0.69 | TP53 (0.59) | NPC1 | |
| SCHEMBL1696356 | 0.69 | ALDH1A1 (0.46) | BTKITKDYRK3CCNT1CCNA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9962382-B2 | Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2018-05-08 | — | — | US | disclosed |
| US-9669028-B2 | Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2017-06-06 | — | — | US | disclosed |