Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 4/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14358955 | 0.86 | CYP3A4 (0.43) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL14475232 | 0.85 | CYP11B1 (0.44) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL14474156 | 0.81 | CYP1A2 (0.62) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL27953880 | 0.80 | PDE5A (0.60) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL16183771 | 0.76 | ABCG2 (0.55) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL16183749 | 0.75 | PDE5A (0.49) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL16183755 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL2155318 | 0.75 | KMT2A (0.55) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL2154688 | 0.75 | GBA1 (0.49) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 | |
| SCHEMBL14358473 | 0.75 | CYP11B1 (0.49) | CYP3A4CYP1A2TSHRCYP2C19HSD17B10 |
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 |