Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.37 |
| ▸ | FEN1 | P39748 | 6/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794168 | 0.77 | TRPV3 (0.48) | NOS3NOS2KCNH2SCN9AS1PR1 | |
| SCHEMBL17609513 | 0.76 | IRAK4 (0.39) | NOS3NOS2ALOX5APFEN1IRAK4 | |
| SCHEMBL19066984 | 0.76 | NOS3 (0.50) | NOS3NOS2ALOX5APFEN1KCNH2 | |
| SCHEMBL17609652 | 0.75 | S1PR1 (0.43) | NOS3NOS2ALOX5APFEN1IRAK4 | |
| SCHEMBL1420222 | 0.75 | NOS3 (0.47) | NOS3NOS2ALOX5APFEN1KCNH2 | |
| SCHEMBL28898005 | 0.75 | CYP2A6 (0.40) | DHFRHDAC4 | |
| SCHEMBL30462066 | 0.74 | HSP90AA1 (0.40) | ALOX5APFEN1IRAK4 | |
| SCHEMBL30911587 | 0.74 | CYP2A6 (0.40) | ALOX5APFEN1IRAK4KDR | |
| SCHEMBL17609846 | 0.72 | ASIC3 (0.52) | NOS3NOS2IRAK4DHFRPIK3CD | |
| SCHEMBL18018441 | 0.72 | KDR (0.36) | DHFRPIK3CDFGFR3KDR |
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-107922392-B | 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof | 豪夫迈·罗氏有限公司 | 2020-07-21 | — | — | CN | disclosed |