Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 11/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22891871 | 0.76 | NOTUM (0.36) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL21787578 | 0.75 | CHEK1 (0.33) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL18855535 | 0.70 | DRD1 (0.31) | CDK8ROCK1FLT1CDK9LIMK1 | |
| SCHEMBL23546233 | 0.70 | L3MBTL1 (0.52) | — | |
| SCHEMBL2360060 | 0.69 | DGAT1 (0.35) | DRD1 | |
| SCHEMBL1935026 | 0.68 | KDR (0.42) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL1417158 | 0.67 | KDM4E (0.55) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL29965863 | 0.67 | KDM4E (0.55) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL5039671 | 0.66 | CYP3A4 (0.37) | DYRK1APIK3CB | |
| SCHEMBL13936549 | 0.66 | ADORA3 (0.41) | CDK8ROCK1CHEK1MAP4K4CSF1R |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017066775-A1 | PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF | ABBVIE INC. (US) | 2017-04-20 | — | — | WO | disclosed |