Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.49 |
| ▸ | GSK3A | P49840 | 4/20 | 0.49 |
| ▸ | GSK3B | P49841 | 4/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.49 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.49 |
| ▸ | CLK2 | P49760 | 3/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29809952 | 1.00 | TP53 (0.52) | TP53GAACLK4GSK3AGSK3B | |
| SCHEMBL29809960 | 0.86 | MAPT (0.51) | TP53GAACLK4GSK3AGSK3B | |
| SCHEMBL28845697 | 0.86 | MAPT (0.51) | TP53GAACLK4GSK3AGSK3B | |
| SCHEMBL28845655 | 0.84 | MAPKAPK2 (0.53) | MAPKAPK2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL28845640 | 0.80 | MAPKAPK2 (0.49) | MAPKAPK2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL11550004 | 0.76 | MAPKAPK2 (0.54) | MAPKAPK2KDM4EALDH1A1 | |
| SCHEMBL11558300 | 0.76 | MAPKAPK2 (0.54) | MAPKAPK2 | |
| SCHEMBL27299059 | 0.75 | CLK4 (0.63) | CLK4GSK3AGSK3BKDRSTK17A | |
| SCHEMBL11544656 | 0.75 | PDGFRB (0.53) | MAPKAPK2PRKAA1MEN1KMT2AKDM4E | |
| SCHEMBL28845646 | 0.75 | RAD52 (0.56) | GAAMAPKAPK2MEN1KMT2AKDM4E |
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-114773267-B | [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof | 沈阳药科大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-114773267-A | [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof | 沈阳药科大学 | 2022-07-22 | — | — | CN | disclosed |