Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 16/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6493992 | 0.86 | CTSA (0.46) | CTSA | |
| SCHEMBL27510388 | 0.86 | MAOB (0.53) | CTSA | |
| SCHEMBL27535196 | 0.79 | ESR1 (0.41) | CTSAESR1ESR2 | |
| SCHEMBL6504253 | 0.76 | ITGB3 (0.61) | — | |
| SCHEMBL6499973 | 0.74 | PKM (0.51) | CTSA | |
| SCHEMBL7259084 | 0.72 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL7803616 | 0.72 | ESR1 (0.37) | ESR1ESR2PTGS2 | |
| SCHEMBL27557934 | 0.72 | ESR1 (0.41) | CTSAESR1ESR2 | |
| SCHEMBL27535182 | 0.71 | ESR1 (0.52) | ESR1ESR2 | |
| SCHEMBL27535185 | 0.71 | ESR1 (0.43) | ESR1ESR2 |
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-1236767-C | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 2006-01-18 | — | — | CN | disclosed |
| US-6881736-B1 | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2005-04-19 | — | — | US | disclosed |
| US-6881736-B1 | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2005-04-19 | — | — | US | disclosed |
| CN-1377269-A | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 2002-10-30 | — | — | CN | disclosed |