Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22093860 | 0.77 | JAK2 (0.44) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL13139330 | 0.76 | CHEK1 (0.40) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL12885106 | 0.73 | PARP1 (0.46) | ROCK2CYP1A2CYP3A4MAPTCYP2C19 | |
| SCHEMBL8348282 | 0.72 | CHEK1 (0.47) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL30016027 | 0.72 | CHEK1 (0.47) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL13975636 | 0.72 | BTK (0.43) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL1727090 | 0.72 | MAPT (0.39) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL27160201 | 0.72 | ENPP2 (0.41) | CHEK1JAK2RPS6KA3MELKSTK24 | |
| SCHEMBL27251928 | 0.70 | CDK8 (0.35) | JAK2ROCK2CYP1A2CYP3A4MAPT | |
| SCHEMBL611440 | 0.70 | JAK2 (0.40) | CHEK1JAK2RPS6KA3MELK |
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-2013024078-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-21 | — | — | WO | disclosed |