Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 12/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2461982 | 0.81 | BTK (0.45) | BTKBACE1BACE2HDAC3HDAC2 | |
| SCHEMBL9984851 | 0.79 | BTK (0.46) | BTKBACE1BACE2AAK1KRAS | |
| SCHEMBL19981766 | 0.76 | BTK (0.41) | BTKBACE1BACE2KRASRAF1 | |
| SCHEMBL9985066 | 0.75 | BTK (0.40) | BTKBACE1BACE2KRASRAF1 | |
| SCHEMBL2492191 | 0.74 | BTK (0.63) | BTKBACE1BACE2HDAC3 | |
| SCHEMBL2488504 | 0.73 | BTK (0.51) | BTKRAF1BRAF | |
| SCHEMBL2490547 | 0.71 | BTK (0.57) | BTK | |
| SCHEMBL2488821 | 0.68 | BTK (0.52) | BTKKRASRAF1BRAFKDR | |
| SCHEMBL2490514 | 0.66 | BTK (0.55) | BTKHDAC3HDAC2KCNH2 | |
| SCHEMBL2493674 | 0.66 | BTK (0.77) | 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-2365970-B1 | PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS | GILEAD CONNECTICUT INC (US) | 2018-03-21 | — | — | EP | disclosed |