Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16937146 | 0.89 | NPC1 (0.48) | NPC1RAB9AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL16936223 | 0.88 | NPC1 (0.53) | NPC1RAB9AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL28675161 | 0.88 | NPC1 (0.53) | NPC1RAB9AL3MBTL1MMP13PTGS2 | |
| SCHEMBL28688187 | 0.87 | NPC1 (0.47) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL18234234 | 0.87 | NPC1 (0.55) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL16936218 | 0.85 | RAB9A (0.55) | NPC1RAB9AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL16936533 | 0.84 | NPC1 (0.49) | NPC1RAB9AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL18226445 | 0.83 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL16936826 | 0.83 | NPC1 (0.48) | NPC1RAB9AL3MBTL1 | |
| SCHEMBL28660041 | 0.81 | NPC1 (0.53) | NPC1RAB9AL3MBTL1ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313828-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-07-12 | — | — | EP | disclosed |
| 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 |