Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 9/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499210 | 1.00 | CASP3 (0.41) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL5499208 | 1.00 | CASP3 (0.41) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL6649319 | 0.93 | MCL1 (0.39) | CASP3KCNQ1CMA1 | |
| SCHEMBL6649321 | 0.93 | MCL1 (0.39) | CASP3KCNQ1CMA1 | |
| SCHEMBL5497356 | 0.82 | CASP3 (0.44) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL5497352 | 0.82 | CASP3 (0.44) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL5499721 | 0.82 | CASP3 (0.48) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL5499724 | 0.82 | CASP3 (0.48) | CASP3KCNQ1CMA1ITGB3ITGA2B | |
| SCHEMBL5498524 | 0.80 | HRH3 (0.51) | CASP3 | |
| SCHEMBL12569672 | 0.80 | HRH3 (0.51) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |