Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31143575 | 1.00 | RXRA (0.44) | RXRAGRIN1GRIN2BSSTR4SCN9A | |
| SCHEMBL18726968 | 0.82 | SCN9A (0.43) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL16174985 | 0.79 | SSTR4 (0.42) | RXRAGRIN1GRIN2BSSTR4SCN9A | |
| SCHEMBL11441604 | 0.79 | SCN9A (0.50) | SCN9AGPBAR1HCRTR1HCRTR2KCNH2 | |
| SCHEMBL13424282 | 0.79 | SSTR4 (0.45) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL367912 | 0.79 | L3MBTL1 (0.41) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL16334635 | 0.79 | SCN9A (0.41) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL1933518 | 0.79 | SCN9A (0.41) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL28062293 | 0.79 | SCN9A (0.41) | SSTR4SCN9AGPBAR1HCRTR1HCRTR2 | |
| SCHEMBL15473322 | 0.78 | CBFB (0.42) | RXRAGRIN1GRIN2BSSTR4HDAC1 |
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-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |