Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL18455441 | 0.84 | BTK (0.49) | BTKPARP1 | |
| SCHEMBL18455270 | 0.81 | BTK (0.55) | BTKPARP1 | |
| SCHEMBL18455239 | 0.77 | BTK (0.64) | BTK | |
| SCHEMBL18455445 | 0.74 | BTK (0.47) | BTKPARP1TYMS | |
| SCHEMBL19497175 | 0.74 | BTK (0.54) | BTK | |
| SCHEMBL16008914 | 0.73 | BTK (0.43) | BTK | |
| SCHEMBL16008917 | 0.73 | BTK (0.43) | BTK | |
| Hydrochloric Acid SCHEMBL16008436 | 0.72 | BTK (0.43) | BTK | |
| SCHEMBL16008900 | 0.72 | BTK (0.45) | BTK | |
| Hydrochloric Acid SCHEMBL16008435 | 0.72 | BTK (0.43) | BTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970202-B1 | PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES | TAKEDA PHARMACEUTICALS CO (JP) | 2017-02-01 | — | — | EP | disclosed |