Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL23886685 | 0.85 | NAMPT (0.43) | NAMPTERCC1ERCC4NOTUMJAK2 | |
| SCHEMBL31721767 | 0.85 | ALDH1A1 (0.46) | NAMPTERCC1ERCC4ACSS2NOTUM | |
| SCHEMBL25248942 | 0.85 | NAMPT (0.43) | NAMPTERCC1ERCC4NOTUMJAK2 | |
| SCHEMBL20674078 | 0.82 | L3MBTL1 (0.50) | NAMPTERCC1ERCC4NOTUMJAK2 | |
| SCHEMBL25512613 | 0.82 | ERCC1 (0.43) | NAMPTERCC1ERCC4NOTUMJAK2 | |
| SCHEMBL21240755 | 0.80 | NAMPT (0.38) | NAMPTERCC1ERCC4NOTUMJAK2 | |
| SCHEMBL22126773 | 0.76 | ALDH1A1 (0.53) | NAMPTKCNH2 | |
| SCHEMBL1255327 | 0.74 | PTGS2 (0.50) | PTGS2 | |
| SCHEMBL25363231 | 0.72 | PARG (0.49) | — | |
| SCHEMBL22126764 | 0.72 | ESR1 (0.52) | — |
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-2021202796-A1 | PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-10-07 | — | — | WO | disclosed |