Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 10/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 10/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | GPR6 | P46095 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24597834 | 0.82 | HDAC6 (0.39) | HDAC6HCRTR1HCRTR2HDAC1HDAC8 | |
| SCHEMBL24597797 | 0.81 | L3MBTL1 (0.38) | GPR6 | |
| SCHEMBL22688974 | 0.80 | HCRTR1 (0.46) | ENPP2HCRTR1HCRTR2 | |
| SCHEMBL22688975 | 0.80 | HCRTR1 (0.46) | ENPP2HCRTR1HCRTR2 | |
| SCHEMBL24597803 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL22705630 | 0.76 | OPRM1 (0.43) | — | |
| SCHEMBL22705448 | 0.76 | HDAC6 (0.36) | ENPP2HDAC6HCRTR1HCRTR2HDAC1 | |
| SCHEMBL22705632 | 0.74 | DRD3 (0.38) | GPR6 | |
| SCHEMBL24597780 | 0.71 | HCRTR1 (0.49) | ENPP2HCRTR1HCRTR2 | |
| SCHEMBL22705501 | 0.71 | HCRTR1 (0.49) | ENPP2HCRTR1HCRTR2 |
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-2020233618-A1 | INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 (CN) | 2020-11-26 | — | — | WO | disclosed |