Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.59 |
| ▸ | AHR | P35869 | 2/20 | 0.59 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.59 |
| ▸ | VDR | P11473 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.56 |
| ▸ | USP2 | O75604 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31023430 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL8775416 | 0.88 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL16404354 | 0.83 | CYP1A2 (0.62) | CYP1A2CLK4MAPTABCG2LMNA | |
| SCHEMBL8776971 | 0.82 | PDE10A (0.48) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL29928263 | 0.80 | NPC1 (0.59) | HSD17B10MAPTPDGFRBPDGFRATSHR | |
| SCHEMBL27746869 | 0.80 | NPC1 (0.61) | CYP1A2MAPTPDGFRBPDGFRAABCB1 | |
| SCHEMBL31325764 | 0.80 | NPC1 (0.59) | CYP1A2CYP3A4CYP2C9CLK4CYP2D6 | |
| SCHEMBL30483555 | 0.80 | CYP1A2 (0.58) | CYP1A2NR1I3PDE10AMEN1KMT2A | |
| SCHEMBL19981078 | 0.80 | CYP1A2 (0.58) | CYP1A2NR1I3PDE10AMEN1KMT2A | |
| SCHEMBL23068690 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2B6AHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109879820-A | A kind of synthetic method of quinazolinone heterocyclic compound | 扬州大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-106008370-B | A kind of synthetic method of 2- substituted quinazoline heterocyclic compounds | 温州大学 | 2018-12-18 | — | — | CN | disclosed |
| CN-106008370-A | Synthesis method for 2-substituted quinazoline heterocyclic compound | 温州大学 | 2016-10-12 | — | — | CN | disclosed |