Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396276 | 1.00 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1CD274PDCD1SPHK1 | |
| SCHEMBL3397054 | 0.91 | PNP (0.40) | HSP90AA1HSP90AB1CD274PDCD1SPHK1 | |
| SCHEMBL3399068 | 0.91 | JAK3 (0.36) | HSP90AA1HSP90AB1CD274PDCD1JAK3 | |
| SCHEMBL3398616 | 0.86 | JAK3 (0.38) | JAK3 | |
| SCHEMBL3396337 | 0.86 | JAK3 (0.38) | JAK3 | |
| SCHEMBL3399527 | 0.84 | CNR2 (0.38) | JAK3 | |
| SCHEMBL3396467 | 0.83 | CNR2 (0.39) | JAK3 | |
| SCHEMBL2275297 | 0.83 | JAK3 (0.50) | HSP90AA1HSP90AB1CD274PDCD1SPHK1 | |
| SCHEMBL2275474 | 0.83 | JAK3 (0.50) | HSP90AA1HSP90AB1CD274PDCD1SPHK1 | |
| SCHEMBL2275307 | 0.83 | JAK3 (0.50) | HSP90AA1HSP90AB1CD274PDCD1SPHK1 |
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 |