Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | YES1 | P07947 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.34 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2346459 | 0.80 | KDM5B (0.37) | ATRKDM5BCAMK2DKITTRPV3 | |
| SCHEMBL2339108 | 0.79 | MAP4K1 (0.37) | ATRKDM5BCAMK2DKITTRPV3 | |
| SCHEMBL2275100 | 0.79 | ATR (0.47) | ATRKDM5BPRKCAPRKCQCAMK2D | |
| SCHEMBL2282052 | 0.78 | ATR (0.47) | ATRKDM5BPRKCAPRKCQCAMK2D | |
| SCHEMBL2276979 | 0.78 | ATR (0.46) | ATRKDM5BPRKCAPRKCQKIT | |
| SCHEMBL2276971 | 0.77 | ATR (0.45) | ATRKDM5BPRKCAPRKCQCAMK2D | |
| SCHEMBL2275402 | 0.72 | JAK3 (0.53) | ATRPRKCAPRKCQCAMK2DKIT | |
| SCHEMBL2275354 | 0.71 | JAK3 (0.40) | ATRKDM5BCAMK2DKITMAPK1 | |
| SCHEMBL2275232 | 0.71 | JAK3 (0.40) | ATRKDM5BCAMK2DKITMAPK1 | |
| SCHEMBL3396342 | 0.71 | ATR (0.36) | ATRKDM5BCAMK2DKITABL1 |
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 |