Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.45 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | STK4 | Q13043 | 1/20 | 0.37 |
| ▸ | STK3 | Q13188 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.36 |
| ▸ | PLOD3 | O60568 | 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 | |
|---|---|---|---|---|
| SCHEMBL2275100 | 0.86 | ATR (0.47) | ATRPRKCAPRKCQKITKDM1A | |
| SCHEMBL2282052 | 0.85 | ATR (0.47) | ATRPRKCAPRKCQKITKDM1A | |
| SCHEMBL2276979 | 0.83 | ATR (0.46) | ATRPRKCAPRKCQKITKDM1A | |
| SCHEMBL3394310 | 0.80 | ATR (0.47) | ATRPRKCAPRKCQKITKDM1A | |
| SCHEMBL2275354 | 0.78 | JAK3 (0.40) | ATRKITSYKKDM5BCAMK2D | |
| SCHEMBL2275232 | 0.78 | JAK3 (0.40) | ATRKITSYKKDM5BCAMK2D | |
| SCHEMBL2278185 | 0.77 | JAK3 (0.40) | ATRKITSYKMAPK1JAK3 | |
| SCHEMBL2276975 | 0.77 | ATR (0.41) | ATRPRKCAPRKCQKITBRAF | |
| SCHEMBL2276833 | 0.77 | MAP3K11 (0.44) | ATRSYKMAPK1JAK2 | |
| SCHEMBL12449756 | 0.76 | MAP4K1 (0.43) | ATRCLK1DYRK1ASYKMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | claimed |