Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 15/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 14/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 14/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 14/20 | 1.00 |
| ▸ | CLK4 | Q9HAZ1 | 14/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 13/20 | 1.00 |
| ▸ | LMNA | P02545 | 13/20 | 1.00 |
| ▸ | TSHR | P16473 | 12/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 11/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 8/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 5/20 | 1.00 |
| ▸ | USP2 | O75604 | 12/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 11/20 | 0.79 |
| ▸ | MEN1 | O00255 | 3/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.79 |
| ▸ | HPGD | P15428 | 6/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1675355 | 0.88 | CYP1A2 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675082 | 0.83 | CLK4 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1674994 | 0.83 | CYP1A2 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675362 | 0.81 | CLK1 (0.82) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675139 | 0.80 | CLK4 (0.74) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675357 | 0.80 | CLK4 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675123 | 0.79 | CLK4 (0.72) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675213 | 0.79 | CLK4 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675243 | 0.79 | CLK1 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL1675086 | 0.78 | CLK4 (1.00) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 |
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 |