Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22573256 | 1.00 | PTGS2 (0.34) | PTGS2PTGS1PDE4APDE4CPDE4D | |
| SCHEMBL22573233 | 0.84 | PDE4A (0.42) | PDE4APDE4CPDE4DPGRHPGD | |
| SCHEMBL15834243 | 0.74 | PDE3B (0.35) | HTTLMNATP53HPGDKMT2A | |
| SCHEMBL25267484 | 0.71 | CYP3A4 (0.53) | PDE4APDE4CPDE4DHTTLMNA | |
| SCHEMBL4169028 | 0.71 | KDM4E (0.37) | PDE4APDE4CPDE4DHTTHTR1A | |
| SCHEMBL31554433 | 0.71 | PDE3B (0.40) | HTTKMT2ASMN1; SMN2ALDH1A1KDR | |
| SCHEMBL3894223 | 0.71 | SRC (0.45) | KDR | |
| SCHEMBL8004806 | 0.68 | CA12 (0.39) | PGRTP53NPSR1HSD17B10ALDH1A1 | |
| SCHEMBL17657636 | 0.68 | PDE4A (0.36) | PDE4APDE4CPDE4DHTR1AHTR1D | |
| SCHEMBL5981248 | 0.66 | CYP19A1 (0.38) | PDE4APDE4CPDE4DHTTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111511719-B | Novel quinoline compounds for the treatment and prevention of hepatitis b virus diseases | 豪夫迈·罗氏有限公司 | 2023-07-14 | — | — | CN | disclosed |