Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 15/20 | 0.40 |
| ▸ | CASP6 | P55212 | 13/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 13/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18678090 | 0.77 | KDM4E (0.44) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL12716162 | 0.77 | KDM4E (0.50) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL22307836 | 0.76 | KDM4E (0.52) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL22908216 | 0.76 | CASP3 (0.64) | CASP3CASP6CASP8CASP7 | |
| SCHEMBL12745899 | 0.76 | KDM4E (0.48) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL22753433 | 0.74 | KDM4E (0.47) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL18215408 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL3216951 | 0.72 | MAPT (0.50) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL22307313 | 0.71 | MAPT (0.56) | KDM4EALDH1A1MAPTHTTCASP3 | |
| SCHEMBL22811059 | 0.71 | ALDH1A1 (0.32) | ALDH1A1MAPT |
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-2019174589-A1 | METHOD FOR PREPARING CASPASE INHIBITOR | 正大天晴药业集团股份有限公司 | 2019-09-19 | — | — | WO | disclosed |