Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15903372 | 0.91 | BTK (0.37) | BTK | |
| SCHEMBL15877657 | 0.84 | BTK (0.37) | BTK | |
| SCHEMBL15877499 | 0.82 | BTK (0.47) | BTK | |
| SCHEMBL15878595 | 0.82 | BTK (0.47) | BTK | |
| SCHEMBL15878807 | 0.81 | BTK (0.33) | BTK | |
| SCHEMBL15904443 | 0.80 | BTK (0.45) | BTK | |
| SCHEMBL15877670 | 0.79 | BTK (0.34) | BTK | |
| SCHEMBL15913882 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TP53 | |
| SCHEMBL15878328 | 0.77 | BTK (0.50) | BTK | |
| SCHEMBL14637752 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TP53 |
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-2014113932-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-07-31 | — | — | WO | disclosed |