Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.43 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3393665 | 0.91 | TTK (0.38) | MAP4K1SYKCHEK1ALDH1A1CDK2 | |
| SCHEMBL3395594 | 0.86 | MAP4K1 (0.44) | MAP4K1SYKKDRCDK2MEN1 | |
| SCHEMBL3395584 | 0.85 | MAP4K1 (0.45) | MAP4K1SYKMAPK1 | |
| SCHEMBL3399404 | 0.84 | MAP4K1 (0.45) | MAP4K1SYKCHEK1CDK2KCNH2 | |
| SCHEMBL3396231 | 0.79 | BTK (0.33) | MAP4K1SYKMTORKCNH2JAK2 | |
| SCHEMBL2277142 | 0.79 | JAK3 (0.51) | MAP4K1SYKPOLBCHEK1MTOR | |
| SCHEMBL3399615 | 0.79 | MAP4K1 (0.35) | MAP4K1SYKKDRKCNH2JAK2 | |
| SCHEMBL3398594 | 0.78 | MAPK1 (0.38) | MAP4K1SYKALDH1A1JAK3MAPK1 | |
| SCHEMBL3395780 | 0.77 | MAP4K1 (0.34) | MAP4K1SYKKCNH2 | |
| SCHEMBL3396888 | 0.77 | MAPK1 (0.37) | SYKMTORJAK3MAPK1 |
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 |