Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 5/20 | 0.37 |
| ▸ | JAK1 | P23458 | 4/20 | 0.37 |
| ▸ | TYK2 | P29597 | 4/20 | 0.37 |
| ▸ | JAK3 | P52333 | 4/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL2875961 | 0.89 | JAK2 (0.38) | JAK2JAK1TYK2JAK3MCHR1 | |
| SCHEMBL27776237 | 0.87 | ADORA2A (0.38) | JAK2JAK1TYK2JAK3MCHR1 | |
| SCHEMBL1339059 | 0.81 | ADORA2A (0.35) | JAK2JAK1TYK2JAK3KCNH2 | |
| SCHEMBL1336736 | 0.78 | JAK2 (0.36) | JAK2JAK1TYK2JAK3MCHR1 | |
| SCHEMBL394127 | 0.77 | LIMK1 (0.31) | RPS6KA3 | |
| SCHEMBL388969 | 0.75 | PIP4K2A (0.33) | — | |
| SCHEMBL391723 | 0.75 | ALDH1A1 (0.37) | METAP2RPS6KA3GSK3B | |
| SCHEMBL2923179 | 0.75 | TDO2 (0.39) | ADORA2AADORA1GSK3B | |
| SCHEMBL391679 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL2879097 | 0.73 | CXCR4 (0.41) | CYP2A13ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125794-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-10-20 | — | — | EP | disclosed |