Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.38 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | CTSV | O60911 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3393739 | 0.92 | MAPK1 (0.39) | PDPK1MAPK1JAK3CYP2D6 | |
| SCHEMBL3397744 | 0.82 | NPC1 (0.41) | MAPK1JAK3BTKITKCYP2D6 | |
| SCHEMBL3398248 | 0.81 | MAPK1 (0.40) | MAPK1JAK3BTKITKCYP2D6 | |
| SCHEMBL3399521 | 0.79 | BRD4 (0.46) | — | |
| SCHEMBL2280699 | 0.78 | JAK3 (0.54) | MAPK1JAK3CYP2D6SYK | |
| SCHEMBL3396277 | 0.78 | JAK3 (0.39) | MAPK1JAK3BTKITKCYP2D6 | |
| SCHEMBL3394454 | 0.78 | JAK3 (0.41) | MAPK1JAK3BTKITKCYP2D6 | |
| SCHEMBL3398005 | 0.78 | LRRK2 (0.35) | MAPK1JAK3BTKITKCYP2D6 | |
| SCHEMBL3396527 | 0.78 | ADORA2A (0.47) | MAPK1JAK3 | |
| SCHEMBL3399133 | 0.78 | TNIK (0.43) | PDPK1 |
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 |