Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 11/20 | 0.41 |
| ▸ | RAB9A | P51151 | 11/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11509381 | 0.83 | CHEK1 (0.44) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL190246 | 0.81 | NPC1 (0.52) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL3604733 | 0.81 | CHEK1 (0.50) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL3707494 | 0.81 | NOTUM (0.53) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL13462510 | 0.79 | CHEK1 (0.41) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL1142048 | 0.79 | NPC1 (0.49) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL3865562 | 0.79 | ELANE (0.43) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL1980170 | 0.78 | NOTUM (0.41) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL1100436 | 0.76 | CREBBP (0.64) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL1141403 | 0.75 | NPC1 (0.57) | CHEK1AURKADAPK3CSNK1A1GSK3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3053925-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-08-10 | — | — | EP | disclosed |
| EP-2041139-B1 | PHARMACEUTICAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2011-11-09 | — | — | EP | disclosed |