Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 13/20 | 0.48 |
| ▸ | CASP7 | P55210 | 6/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | CASP9 | P55211 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CASP2 | P42575 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30754657 | 0.74 | ALDH1A1 (0.40) | CA1CA2CA9 | |
| SCHEMBL7725864 | 0.67 | CASP3 (0.45) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL458636 | 0.67 | CA12 (0.69) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL2486952 | 0.66 | CASP3 (1.00) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL31395806 | 0.66 | CASP3 (1.00) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL29059079 | 0.66 | CASP3 (0.81) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL30555459 | 0.66 | CASP3 (0.81) | CASP3CASP7CASP1CASP9CA12 | |
| Hydrochloric Acid SCHEMBL5184450 | 0.66 | CA12 (0.67) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL454612 | 0.66 | CA12 (0.67) | CASP3CASP7CASP1CASP9CA12 | |
| SCHEMBL5858448 | 0.66 | CA12 (0.67) | CASP3CASP7CASP1CASP9CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001933-A4 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORP (US) | 2002-11-06 | — | — | EP | claimed |
| EP-1001933-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006367-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-02-11 | — | — | WO | claimed |