Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16936223 | 0.89 | NPC1 (0.53) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL18234234 | 0.88 | NPC1 (0.55) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL25256941 | 0.88 | NPC1 (0.51) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL16936533 | 0.86 | NPC1 (0.49) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL16937146 | 0.85 | NPC1 (0.48) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL18226445 | 0.85 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL16936324 | 0.83 | NPC1 (0.48) | NPC1RAB9AL3MBTL1RET | |
| SCHEMBL16936550 | 0.83 | NPC1 (0.44) | NPC1RAB9AL3MBTL1MMP13 | |
| SCHEMBL28660041 | 0.83 | NPC1 (0.53) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL16936826 | 0.83 | NPC1 (0.48) | NPC1RAB9AL3MBTL1 |
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-107922394-B | 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 默沙东公司 | 2021-07-13 | — | — | CN | disclosed |