Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PDE6D | O43924 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 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 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743046 | 0.88 | THRB (0.78) | THRBMEN1KMT2AMAPK10USP2 | |
| SCHEMBL4743443 | 0.84 | THRB (0.53) | THRBHSD17B10ALDH1A1 | |
| SCHEMBL4742591 | 0.84 | THRB (0.72) | THRBMEN1KMT2AMAPK10USP2 | |
| SCHEMBL14378112 | 0.80 | THRB (0.62) | THRBMEN1KMT2APDE6DPDE5A | |
| SCHEMBL430575 | 0.79 | THRB (0.61) | THRBMEN1KMT2APDE6DPDE5A | |
| SCHEMBL437005 | 0.78 | THRB (0.60) | THRBKMT2ATP53ALDH1A1PDE6D | |
| SCHEMBL429137 | 0.78 | PDE5A (0.60) | THRBMEN1KMT2AMAPK10PDE6D | |
| SCHEMBL7069841 | 0.76 | THRB (0.58) | THRBPDE6DPDE5APDE6APDE6G | |
| SCHEMBL4785514 | 0.75 | THRB (0.46) | THRBMEN1KMT2APDE6DPDE5A | |
| SCHEMBL3059653 | 0.75 | THRB (0.57) | THRBPDE6DPDE5APDE6APDE6G |
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 |