Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | ABL1 | P00519 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13888054 | 0.89 | ROCK1 (0.50) | ROCK1CYP3A4ABL1RAB9ANPC1 | |
| SCHEMBL13888030 | 0.88 | ROCK1 (0.55) | ROCK1CYP3A4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13888038 | 0.84 | ROCK1 (0.57) | ROCK1CYP3A4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13888042 | 0.82 | ROCK1 (0.55) | ROCK1CYP3A4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13888059 | 0.80 | ROCK1 (0.70) | ROCK1CYP3A4JAK2PRKCGCDK2 | |
| SCHEMBL13887847 | 0.79 | ROCK1 (0.74) | ROCK1CYP3A4JAK2PRKCGCDK2 | |
| SCHEMBL1799923 | 0.78 | DYRK1A (0.50) | ROCK1CYP3A4PDPK1PLK4AURKA | |
| SCHEMBL13888055 | 0.77 | ROCK1 (0.65) | ROCK1CYP3A4MEN1KMT2AJAK2 | |
| SCHEMBL13887972 | 0.77 | ROCK1 (0.62) | ROCK1CYP3A4RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13888050 | 0.76 | ROCK1 (0.59) | ROCK1CYP3A4MEN1KMT2APLK4 |
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-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |
| US-7514448-B2 | Azaindoles useful as inhibitors of rock and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-07 | — | — | US | disclosed |