Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.39 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 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 | |
|---|---|---|---|---|
| SCHEMBL27540799 | 0.82 | CHEK1 (0.43) | CHEK1AKT2SMN1; SMN2FYNKDM4E | |
| SCHEMBL5258336 | 0.81 | CHEK1 (0.42) | CHEK1AKT2SMN1; SMN2FYNKDM4E | |
| SCHEMBL27544001 | 0.81 | CHEK1 (0.39) | CHEK1AKT2SMN1; SMN2FYNKDM4E | |
| SCHEMBL5255455 | 0.80 | FYN (0.45) | CHEK1AKT2FYNKDM4EMAPK1 | |
| SCHEMBL5260432 | 0.79 | CHEK1 (0.47) | CHEK1AKT2KDM4EMAPK1NPSR1 | |
| SCHEMBL5257418 | 0.78 | NPC1 (0.44) | CHEK1AKT2SMN1; SMN2KDM4ENPSR1 | |
| Propionic Acid SCHEMBL10359090 | 0.77 | AKT2 (0.53) | CHEK1AKT2SMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL27540778 | 0.77 | CHEK1 (0.38) | CHEK1AKT2FYNKDM4EMAPK1 | |
| SCHEMBL5259330 | 0.74 | MAT2A (0.44) | CHEK1AKT2MAPK14MAPK1NPSR1 | |
| SCHEMBL27540538 | 0.74 | ADORA2A (0.45) | CHEK1AKT2SMN1; SMN2MAPK14KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1342157-A | Substituted pyrazoles ASP38 kinase inhibitors | SEARLE & CO (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1264377-A | Substituted pyrazoles as P38 kinase inhabitors | SEARLE & CO (US) | 2000-08-23 | — | — | CN | disclosed |