Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 4/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.36 |
| ▸ | CCND1 | P24385 | 2/20 | 0.36 |
| ▸ | WEE1 | P30291 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 3/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CDK11A | Q9UQ88 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 2/20 | 0.34 |
| ▸ | CCND3 | P30281 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1394803 | 0.88 | WEE1 (0.41) | BTKCDK6CCND1WEE1CDK9 | |
| SCHEMBL609109 | 0.87 | CDK6 (0.46) | BTKCDK6CCND1CDK9CCNK | |
| SCHEMBL610952 | 0.80 | WEE1 (0.51) | BTKCDK6CCND1WEE1CDK9 | |
| SCHEMBL14911706 | 0.79 | BTK (0.41) | BTK | |
| SCHEMBL610905 | 0.79 | SYK (0.43) | BTKCDK6CCND1WEE1CDK9 | |
| SCHEMBL10256584 | 0.79 | CCND3 (0.48) | CDK6CCND1CDK9CDK4CCNK | |
| Hydrochloric Acid SCHEMBL1393269 | 0.78 | CDK2 (0.47) | CDK6CCND1CDK9CDK4CCNK | |
| SCHEMBL609443 | 0.78 | HCAR3 (0.48) | — | |
| SCHEMBL10256308 | 0.77 | WNT3A (0.48) | BTKCDK6CCND1CDK9CDK4 | |
| SCHEMBL610867 | 0.77 | CCNA2 (0.49) | BTKCDK6CCND1WEE1CDK4 |
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-2603500-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020008-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |