Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.36 |
| ▸ | ITK | Q08881 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PNP | P00491 | 3/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3394532 | 0.90 | JAK3 (0.35) | PARP1JAK3MAPK1BTKITK | |
| SCHEMBL3395804 | 0.81 | MAP4K4 (0.40) | PARP1JAK3MAPK1BTKITK | |
| SCHEMBL3397744 | 0.81 | NPC1 (0.41) | JAK3MAPK1BTKITKSYK | |
| SCHEMBL2274948 | 0.81 | JAK3 (0.55) | PARP1JAK3MAPK1BTKITK | |
| SCHEMBL3398248 | 0.80 | MAPK1 (0.40) | JAK3MAPK1BTKITKSYK | |
| SCHEMBL3399133 | 0.80 | TNIK (0.43) | PARP1CDK8 | |
| SCHEMBL3399527 | 0.79 | CNR2 (0.38) | PARP1JAK3MAPK1 | |
| SCHEMBL3396277 | 0.79 | JAK3 (0.39) | JAK3MAPK1BTKITKSYK | |
| SCHEMBL3396467 | 0.79 | CNR2 (0.39) | PARP1JAK3 | |
| SCHEMBL3399596 | 0.78 | JAK2 (0.41) | JAK3 |
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 |