Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 16/20 | 0.50 |
| ▸ | CLK1 | P49759 | 5/20 | 0.50 |
| ▸ | CLK2 | P49760 | 4/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.45 |
| ▸ | TSHR | P16473 | 10/20 | 0.45 |
| ▸ | LMNA | P02545 | 9/20 | 0.45 |
| ▸ | USP2 | O75604 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1675063 | 0.84 | CDK2 (0.58) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675160 | 0.82 | CLK4 (0.71) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675141 | 0.75 | CLK4 (0.66) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675262 | 0.75 | CDK2 (1.00) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675242 | 0.72 | CLK1 (0.73) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675230 | 0.68 | CLK4 (0.60) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675038 | 0.67 | CLK4 (0.80) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675078 | 0.67 | CLK4 (1.00) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675012 | 0.65 | CLK4 (0.51) | CDK2CLK4CLK1CLK2DYRK1B | |
| SCHEMBL1675098 | 0.64 | CLK4 (0.86) | CDK2CLK4CLK1CLK2DYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011041655-A1 | QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-04-07 | — | — | WO | claimed |
| WO-2011041655-A1 | QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-04-07 | — | — | WO | disclosed |