Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | GBA1 | P04062 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16183610 | 0.91 | CYP1A2 (0.54) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475094 | 0.91 | CYP1A2 (0.63) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14474520 | 0.90 | CYP1A2 (0.53) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL16183606 | 0.90 | CYP1A2 (0.55) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL18022986 | 0.89 | CYP3A4 (0.52) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL16184266 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14475184 | 0.87 | CYP3A4 (0.50) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14727723 | 0.86 | ABCG2 (0.49) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL14474641 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 | |
| SCHEMBL16184268 | 0.84 | CLK4 (0.49) | CYP1A2CYP3A4CLK4CYP2C19HSD17B10 |
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-2013003586-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-01-03 | — | — | WO | disclosed |