Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | PDE5A | O76074 | 2/20 | 0.49 |
| ▸ | PDE6D | O43924 | 1/20 | 0.49 |
| ▸ | PDE6A | P16499 | 1/20 | 0.49 |
| ▸ | PDE6G | P18545 | 1/20 | 0.49 |
| ▸ | PDE6B | P35913 | 1/20 | 0.49 |
| ▸ | PDE6C | P51160 | 1/20 | 0.49 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL263314 | 0.90 | KMT2A (0.53) | KMT2AMEN1PDE5APDE6DPDE6A | |
| SCHEMBL429137 | 0.89 | PDE5A (0.60) | KMT2AMEN1PDE5APDE6DPDE6A | |
| SCHEMBL12426321 | 0.85 | KMT2A (0.57) | KMT2AMEN1THRBMAPTGAA | |
| SCHEMBL1178069 | 0.85 | KMT2A (0.58) | KMT2AMEN1THRBMAPTGAA | |
| SCHEMBL4428236 | 0.84 | PDE5A (0.56) | KMT2AMEN1PDE5APDE6DPDE6A | |
| SCHEMBL2723785 | 0.82 | GAA (0.57) | KMT2AMEN1THRBMAPTGAA | |
| SCHEMBL621104 | 0.82 | KMT2A (0.55) | KMT2AMEN1PDE5APDE6DPDE6A | |
| SCHEMBL1467397 | 0.81 | KMT2A (0.54) | KMT2AMEN1THRBMAPTGAA | |
| SCHEMBL18987698 | 0.81 | TP53 (0.54) | KMT2AMEN1PDE5APDE6DPDE6A | |
| SCHEMBL1285507 | 0.81 | MAPT (0.51) | KMT2AMEN1PDE5AMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008093940-A1 | QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | YUNGJIN PHARMACEUTICAL CO., LTD. (KR) | 2008-08-07 | — | — | WO | disclosed |