Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.60 |
| ▸ | CA9 | Q16790 | 3/20 | 0.60 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.30 |
| ▸ | CLK1 | P49759 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL731556 | 0.75 | CA12 (1.00) | CA12CA9NOS1HRH4BACE1 | |
| SCHEMBL21877855 | 0.70 | CA12 (0.53) | CA12CA9NOS1HRH4BACE1 | |
| SCHEMBL17673224 | 0.68 | CA12 (0.52) | CA12CA9NOS1HRH4BACE1 | |
| SCHEMBL341141 | 0.67 | ALDH1A1 (0.49) | KDM4EHSD17B10ARMEN1GAA | |
| SCHEMBL445281 | 0.67 | AHR (0.56) | CA12CA9NOS1BACE1AR | |
| SCHEMBL597517 | 0.67 | CA12 (0.50) | CA12CA9NOS1HRH4KDM4E | |
| SCHEMBL6505957 | 0.67 | CA12 (0.50) | CA12CA9NOS1HRH4BACE1 | |
| SCHEMBL17722736 | 0.64 | KIF11 (0.58) | CA12CA9NOS1KDM4EHSD17B10 | |
| SCHEMBL29597557 | 0.64 | ALDH1A1 (0.54) | CA12CA9KDM4EHSD17B10MEN1 | |
| SCHEMBL403269 | 0.64 | ALDH1A1 (0.54) | CA12CA9KDM4EHSD17B10MEN1 |
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-114989137-B | Chiral imine-containing quinoline imidazoline compound and metal complex thereof, preparation method and application | 浙江大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-113880822-B | Chiral imine quinoline oxazoline-containing compound and metal complex thereof, preparation method and application | 浙江大学 | 2023-09-19 | — | — | CN | disclosed |
| CN-113880822-A | Chiral quinoline oxazoline compound containing imine and metal complex thereof, and preparation method and application thereof | 浙江大学 | 2022-01-04 | — | — | CN | disclosed |