Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 17/20 | 0.55 |
| ▸ | CASP6 | P55212 | 14/20 | 0.55 |
| ▸ | CASP8 | Q14790 | 14/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307837 | 0.82 | KDM4E (0.55) | CASP3CASP6CASP8CASP7KDM4E | |
| SCHEMBL20827298 | 0.81 | CASP3 (0.44) | CASP3CASP6CASP8CASP7KDM4E | |
| Hydrochloric Acid SCHEMBL23291530 | 0.81 | CASP3 (0.48) | CASP3CASP6CASP8CASP7 | |
| Hydrochloric Acid SCHEMBL23291529 | 0.81 | CASP3 (0.48) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL13146672 | 0.80 | CASP3 (0.67) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL25985226 | 0.80 | KDM4E (0.52) | CASP3CASP6CASP8CASP7KDM4E | |
| SCHEMBL13382341 | 0.78 | TSHR (0.56) | CASP3CASP6CASP8CASP7KDM4E | |
| SCHEMBL21361925 | 0.78 | CASP3 (0.69) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL31325781 | 0.78 | CASP3 (0.57) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL8320378 | 0.78 | CASP3 (0.52) | CASP3CASP6CASP8CASP7KDM4E |
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-3456711-A1 | CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2019-03-20 | — | — | EP | disclosed |