Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28290763 | 0.87 | MITF (0.52) | ALDH1A1L3MBTL1MITFPKMGAA | |
| SCHEMBL27968562 | 0.82 | L3MBTL1 (0.47) | ALDH1A1L3MBTL1MITFMAPK1PKM | |
| SCHEMBL19406117 | 0.80 | L3MBTL1 (0.46) | ALDH1A1L3MBTL1PKMSMN1; SMN2TAAR1 | |
| SCHEMBL28290784 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1MITFMAPK1PKM | |
| SCHEMBL28290767 | 0.79 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1MITFPKMGAA | |
| Hexane SCHEMBL9088438 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1L3MBTL1MITFPKMGAA | |
| SCHEMBL2976254 | 0.77 | L3MBTL1 (0.50) | ALDH1A1L3MBTL1PKMGAASMN1; SMN2 | |
| SCHEMBL9730065 | 0.77 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1PKMTAAR1LMNA | |
| SCHEMBL16246028 | 0.74 | SMN1; SMN2 (0.64) | ALDH1A1L3MBTL1MITFPKMGAA | |
| SCHEMBL14696607 | 0.73 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1PKMGAASMN1; 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-109706198-A | A kind of method that online enzyme process closes nitro imidazole derivatives | 浙江工业大学 | 2019-05-03 | — | — | CN | disclosed |