Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 20/20 | 0.86 |
| ▸ | CCNK | O75909 | 1/20 | 0.69 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.69 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL2551016 | 0.92 | NEK1 (1.00) | NEK1CCNKPBKCDK12 | |
| SCHEMBL2551018 | 0.92 | NEK1 (1.00) | NEK1CCNKPBKCDK12 | |
| SCHEMBL2554573 | 0.92 | NEK1 (1.00) | NEK1CCNKPBKCDK12 | |
| Hydrochloric Acid SCHEMBL2552409 | 0.91 | NEK1 (0.98) | NEK1CCNKPBKCDK12 | |
| Hydrochloric Acid SCHEMBL15092204 | 0.91 | NEK1 (0.98) | NEK1CCNKPBKCDK12 | |
| Hydrochloric Acid SCHEMBL2552408 | 0.91 | NEK1 (0.98) | NEK1CCNKPBKCDK12 | |
| SCHEMBL2546329 | 0.90 | NEK1 (0.85) | NEK1CCNKPBKCDK12 | |
| SCHEMBL2546327 | 0.90 | NEK1 (0.85) | NEK1CCNKPBKCDK12 | |
| SCHEMBL12278385 | 0.87 | NEK1 (1.00) | NEK1PBK | |
| SCHEMBL2546432 | 0.87 | NEK1 (1.00) | NEK1PBK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | claimed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | claimed |
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |