Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.55 |
| ▸ | PDE5A | O76074 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14475213 | 0.90 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16183551 | 0.89 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475200 | 0.88 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14474609 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14727583 | 0.87 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475618 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475203 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14474081 | 0.86 | ABCG2 (0.56) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475162 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL20273785 | 0.86 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 |
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 |