Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | JAK3 | P52333 | 7/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 2/20 | 0.34 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL3398118 | 0.82 | MAP4K4 (0.39) | MAP4K4JAK3PARP1PRKCQ | |
| SCHEMBL2275442 | 0.81 | JAK3 (0.53) | MAP4K4JAK3PARP1ITKINSR | |
| SCHEMBL3396695 | 0.81 | PARP1 (0.39) | JAK3PARP1ITKBTKMAPK1 | |
| SCHEMBL3396467 | 0.81 | CNR2 (0.39) | MAP4K4JAK3PARP1HRH3PIK3CA | |
| SCHEMBL3399527 | 0.80 | CNR2 (0.38) | MAP4K4JAK3PARP1MAPK1PIK3CA | |
| SCHEMBL3399068 | 0.79 | JAK3 (0.36) | JAK3PARP1HRH3ITKBTK | |
| SCHEMBL3399133 | 0.79 | TNIK (0.43) | PARP1INSRABL1FLT3CDK8 | |
| SCHEMBL3397744 | 0.78 | NPC1 (0.41) | JAK3ITKBTKMAPK1PIK3CA | |
| SCHEMBL3391915 | 0.78 | JAK3 (0.37) | JAK3ITKBTKMAPK1GSK3B | |
| SCHEMBL3395994 | 0.78 | JAK3 (0.37) | MAP4K4JAK3ITKBTKMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |