Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.56 |
| ▸ | RELA | Q04206 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | STAT1 | P42224 | 1/20 | 0.56 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.56 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 4/20 | 0.53 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28483088 | 0.87 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL18229533 | 0.73 | HDAC6 (0.75) | CHEK2 | |
| SCHEMBL28484512 | 0.73 | GAA (0.39) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL2244388 | 0.72 | NPBWR1 (0.81) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL11743141 | 0.71 | RHEB (0.67) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL28475614 | 0.70 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL28475608 | 0.70 | RAB9A (0.68) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL32670664 | 0.70 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL6324185 | 0.69 | NPBWR1 (0.86) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL6324182 | 0.69 | NPBWR1 (0.73) | NPC1RAB9ASMN1; SMN2MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111471019-B | 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof | 浙江工业大学 | 2021-10-01 | — | — | CN | disclosed |
| CN-111471019-A | 5, 6-dinitrobenzimidazole compound and synthesis method and application thereof | 浙江工业大学 | 2020-07-31 | — | — | CN | disclosed |