Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL23445922 | 0.82 | TDP1 (0.45) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL23444643 | 0.77 | TDP1 (0.44) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL23446581 | 0.76 | TDP1 (0.48) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1782231 | 0.74 | L3MBTL1 (0.50) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL5731941 | 0.73 | NPC1 (0.54) | TDP1NPC1HPGDALDH1A1TSHR | |
| SCHEMBL23444640 | 0.72 | HPGD (0.43) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1658858 | 0.72 | ATM (0.52) | TDP1NPC1HPGDALDH1A1TSHR | |
| SCHEMBL1785127 | 0.71 | IDO1 (0.33) | TDP1NPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL5730987 | 0.69 | NPC1 (0.51) | TDP1NPC1HPGDALDH1A1TSHR | |
| SCHEMBL1787253 | 0.69 | ATM (0.47) | TDP1NPC1HPGDALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021106947-A1 | NOVEL QUINONE DERIVATIVE AND ANTITRYPANOSOMAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 国立大学法人群馬大学 | 2021-06-03 | — | — | WO | disclosed |