Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | PI4KA | P42356 | 1/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL19258239 | 0.89 | ADORA2A (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28617976 | 0.81 | ADORA2A (0.43) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28703835 | 0.79 | ADORA2A (0.42) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28613672 | 0.78 | ADORA2A (0.45) | ADORA2ACYP1A2CYP3A4TSHRCLK4 | |
| SCHEMBL17195401 | 0.77 | ADORA2A (0.47) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29986658 | 0.75 | ADORA2A (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13858568 | 0.75 | ADORA2A (0.59) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL18731747 | 0.75 | ADORA2A (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21925695 | 0.75 | ADORA2A (0.45) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13911021 | 0.74 | ADORA2A (0.64) | ADORA2API4KAPI4K2BPI4K2API4KB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108976173-B | Preparation method of 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline | 江西师范大学 | 2022-01-18 | — | — | CN | disclosed |
| CN-109053599-B | 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline compound | 江西师范大学 | 2021-08-24 | — | — | CN | disclosed |