Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 15/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27781877 | 0.90 | CASP3 (1.00) | CASP3KDM4E | |
| SCHEMBL27760323 | 0.88 | CASP3 (0.82) | CASP3MAPTKDM4E | |
| SCHEMBL27781878 | 0.85 | CASP3 (0.78) | CASP3 | |
| SCHEMBL28249477 | 0.85 | CASP3 (0.77) | CASP3MAPTDHODHNPSR1 | |
| SCHEMBL27814057 | 0.82 | CASP3 (1.00) | CASP3DUSP3 | |
| SCHEMBL27792819 | 0.76 | CASP3 (0.61) | CASP3DUSP3 | |
| SCHEMBL28469846 | 0.76 | CASP3 (0.62) | CASP3MAPTKDM4E | |
| SCHEMBL27760311 | 0.75 | CASP3 (0.77) | CASP3MAPT | |
| SCHEMBL27781860 | 0.74 | CASP3 (1.00) | CASP3 | |
| SCHEMBL27814058 | 0.73 | CASP3 (1.00) | CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101838260-B | Dihydropyrrolones derivative as Caspase-3 inhibitor | UNIV SOUTH CHINA TECH | 2013-08-14 | — | — | CN | disclosed |
| CN-101497580-B | HIV-1 inhibitor 2-pyrrolidinone derivative, as well as synthesizing method and use thereof | UNIV SOUTH CHINA TECH | 2011-08-17 | — | — | CN | disclosed |
| CN-101838260-A | Dihydropyrrolones derivative as Caspase-3 inhibitor | UNIV SOUTH CHINA TECH | 2010-09-22 | — | — | CN | disclosed |
| CN-101497580-A | HIV-1 inhibitor 2-pyrrolidinone derivative, as well as synthesizing method and use thereof | UNIV SOUTH CHINA TECH (CN) | 2009-08-05 | — | — | CN | disclosed |