Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209338 | 1.00 | TDP1 (0.44) | TDP1ALDH1A1RAB9AGAABRD4 | |
| SCHEMBL5213939 | 0.85 | ALDH1A1 (0.56) | TDP1ALDH1A1RAB9AGAAMEN1 | |
| SCHEMBL30749505 | 0.85 | ALDH1A1 (0.56) | TDP1ALDH1A1RAB9AGAAMEN1 | |
| SCHEMBL28206486 | 0.85 | RAB9A (0.57) | TDP1ALDH1A1RAB9AKDM4EHPGD | |
| SCHEMBL2783388 | 0.80 | DHODH (0.48) | TDP1ALDH1A1RAB9AGAAKDM4E | |
| SCHEMBL5213935 | 0.79 | GAA (0.62) | TDP1ALDH1A1RAB9AGAAMEN1 | |
| SCHEMBL30749506 | 0.78 | TDP1 (0.51) | TDP1ALDH1A1RAB9AGAAL3MBTL1 | |
| SCHEMBL29209346 | 0.78 | GAA (0.44) | TDP1ALDH1A1RAB9AGAAKMT2A | |
| SCHEMBL29209327 | 0.78 | TDP1 (0.51) | TDP1ALDH1A1RAB9AGAAL3MBTL1 | |
| SCHEMBL30749497 | 0.78 | GAA (0.44) | TDP1ALDH1A1RAB9AGAAKMT2A |
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-117510338-A | Natural naphthoquinone derivative and preparation method and application thereof | 贵州大学 | 2024-02-06 | — | — | CN | disclosed |