Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23000861 | 0.87 | NPC1 (0.47) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL28688187 | 0.84 | NPC1 (0.47) | NPC1RAB9AL3MBTL1PTGS2 | |
| SCHEMBL28660041 | 0.82 | NPC1 (0.53) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL28675126 | 0.81 | NPC1 (0.41) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL28666894 | 0.79 | TOP2A (0.42) | RAB9AL3MBTL1PTGS2ALDH1A1MAPT | |
| SCHEMBL25256941 | 0.78 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL28660044 | 0.78 | NPC1 (0.41) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL28930111 | 0.78 | NPC1 (0.41) | NPC1RAB9AL3MBTL1PTGS2MMP13 | |
| SCHEMBL28675129 | 0.76 | NPC1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL18226607 | 0.76 | NPC1 (0.48) | NPC1RAB9AL3MBTL1PTGS2SMN1; SMN2 |
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 |