Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 7/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9984648 | 0.83 | BTK (0.49) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL19981512 | 0.82 | BTK (0.57) | BTKPARP1 | |
| SCHEMBL9984355 | 0.73 | BTK (0.54) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL9984360 | 0.72 | BTK (0.52) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL19971524 | 0.71 | BTK (0.50) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL2494710 | 0.70 | BTK (0.51) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL9985266 | 0.70 | BTK (0.51) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL19981658 | 0.69 | GSK3B (0.41) | BTKNPC1RAB9A | |
| SCHEMBL2492538 | 0.68 | BTK (0.51) | BTKKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL2494292 | 0.68 | BTK (0.52) | BTKALDH1A1NPC1RAB9A |
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-2365970-B1 | PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS | GILEAD CONNECTICUT INC (US) | 2018-03-21 | — | — | EP | disclosed |