Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.69 |
| ▸ | RAB9A | P51151 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 3/20 | 0.69 |
| ▸ | HTT | P42858 | 3/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | JAK2 | O60674 | 1/20 | 0.57 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.57 |
| ▸ | DHODH | Q02127 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16296863 | 1.00 | MAPT (0.69) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL16297022 | 0.88 | MAPT (0.68) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL16297260 | 0.83 | MAPT (0.75) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL30991484 | 0.83 | MAPT (0.75) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL754259 | 0.82 | MAPT (1.00) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL29633257 | 0.82 | MAPT (1.00) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL30991489 | 0.82 | MAPT (0.69) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL16296999 | 0.82 | MAPT (0.64) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL16296882 | 0.82 | MAPT (0.69) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL29746447 | 0.82 | MAPT (0.69) | MAPTRAB9ASMN1; SMN2NPC1MAPK1 |
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-114702399-A | 2-trifluoroalkyl-1, 4-naphthoquinone compound and synthetic method thereof | 信阳师范学院 | 2022-07-05 | — | — | CN | disclosed |
| CN-109748809-B | Method for synthesizing 2-substituted amino-1, 4-naphthoquinone derivative | 中国科学院成都有机化学有限公司 | 2022-05-13 | — | — | CN | disclosed |