Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14887076 | 0.90 | ROCK1 (0.38) | ROCK1SMN1; SMN2HSD17B10NPC1RAB9A | |
| SCHEMBL12965734 | 0.80 | ROCK1 (0.39) | ROCK1SMN1; SMN2HSD17B10NPC1RAB9A | |
| SCHEMBL12965663 | 0.80 | ALDH1A1 (0.40) | SMN1; SMN2HSD17B10NPC1RAB9AMAPT | |
| SCHEMBL12965687 | 0.77 | PDPK1 (0.42) | ROCK1SMN1; SMN2HSD17B10NPC1RAB9A | |
| SCHEMBL12821667 | 0.72 | CDK8 (0.45) | ROCK1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL14887160 | 0.70 | PDE10A (0.40) | POLB | |
| SCHEMBL14887161 | 0.69 | PIM2 (0.43) | ROCK1PIM1PIM3POLB | |
| SCHEMBL14887081 | 0.66 | PIM2 (0.41) | ROCK1AKT1PIK3CAPIM1PIM3 | |
| SCHEMBL14887074 | 0.65 | PIM1 (0.42) | ROCK1PIM1PIM3POLB | |
| SCHEMBL12813957 | 0.65 | ROCK1 (0.51) | ROCK1SMN1; SMN2HSD17B10NPC1RAB9A |
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 |