Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.96 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2427481 | 0.98 | ADRB2 (1.00) | ADRB2HRH3TAAR1CYP2A6LOXL2 | |
| SCHEMBL13978024 | 0.86 | ADRB2 (0.78) | ADRB2HRH3TAAR1CYP2A6LOXL2 | |
| SCHEMBL23291109 | 0.81 | ADRB2 (0.70) | ADRB2TAAR1CYP2A6LOXL2KDM4E | |
| SCHEMBL16625771 | 0.81 | CLK4 (0.61) | ADRB2CYP2A6CLK4AOC3KDM4E | |
| SCHEMBL29676764 | 0.79 | ADRB2 (0.68) | ADRB2TAAR1CYP2A6LOXL2CLK4 | |
| SCHEMBL112429 | 0.79 | ADRB2 (0.68) | ADRB2TAAR1CYP2A6LOXL2CLK4 | |
| SCHEMBL27278090 | 0.78 | ADRB2 (0.67) | ADRB2HRH3TAAR1CYP2A6LOXL2 | |
| SCHEMBL2274647 | 0.78 | HRH3 (1.00) | ADRB2HRH3TAAR1CYP2A6LOXL2 | |
| SCHEMBL6685962 | 0.78 | CLK4 (0.64) | ADRB2CYP2A6CLK4AOC3KDM4E | |
| SCHEMBL16269874 | 0.78 | ADRB2 (0.66) | ADRB2HRH3TAAR1CYP2A6LOXL2 |
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-106496127-B | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-106496127-A | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |