Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28616596 | 0.89 | ADORA2A (0.49) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL28613672 | 0.85 | ADORA2A (0.45) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL17195401 | 0.80 | ADORA2A (0.47) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL13911021 | 0.80 | ADORA2A (0.64) | ADORA2ACLK4TSHRALDH1A1PI4KA | |
| SCHEMBL3075421 | 0.80 | ADORA2A (0.75) | ADORA2ACLK4TSHRMAPK1ALDH1A1 | |
| SCHEMBL28617976 | 0.79 | ADORA2A (0.43) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL20880016 | 0.79 | ADORA2A (0.49) | ADORA2ACYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL19258252 | 0.78 | LMNA (0.41) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL21128382 | 0.78 | MAPK13 (0.46) | ADORA2ACYP1A2CLK4CYP3A4TSHR | |
| SCHEMBL13858568 | 0.78 | ADORA2A (0.59) | ADORA2ACLK4ALDH1A1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632087-B | Preparation method of 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline | 江西师范大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-109053599-A | 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline compound | 江西师范大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-108976173-A | Preparation method of 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline | 江西师范大学 | 2018-12-11 | — | — | CN | disclosed |
| EP-3205658-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | Universal Display Corporation (US) | 2017-08-16 | — | — | EP | disclosed |
| CN-106632087-A | Preparation method of 4-aryl-2- (2- (sulfur trifluoromethyl) aryl) quinazoline | 江西师范大学 | 2017-05-10 | — | — | CN | disclosed |