Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL16184859 | 0.92 | HSD17B10 (0.52) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184848 | 0.89 | GRM5 (0.48) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16183623 | 0.89 | CYP1A2 (0.49) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16184896 | 0.89 | HSD17B10 (0.49) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184849 | 0.89 | MAPT (0.48) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184853 | 0.87 | HSD17B10 (0.47) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184852 | 0.87 | HSD17B10 (0.47) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184856 | 0.87 | CYP1A2 (0.48) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184851 | 0.87 | HSD17B10 (0.45) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16184861 | 0.86 | S1PR1 (0.46) | GRM5HSD17B10CYP1A2CYP3A4CYP2D6 |
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 |