Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14474593 | 0.89 | CYP11B2 (0.49) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL14474599 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL14474620 | 0.80 | PDE5A (0.43) | ABCG2CYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL16183287 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL19204171 | 0.77 | CHRNB2 (0.48) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL16184299 | 0.76 | ABCG2 (0.52) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL14731298 | 0.76 | CHRNB2 (0.47) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL17214443 | 0.71 | ABCG2 (0.56) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL14727837 | 0.71 | ABCG2 (0.56) | CHRNB2CHRNA5CHRNA4ABCG2CYP1A2 | |
| SCHEMBL29809001 | 0.70 | CYP11B2 (0.71) | CHRNB2CHRNA5CHRNA4CYP1A2CYP3A4 |
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 |