Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28290761 | 0.89 | MITF (0.62) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL28290789 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL14181603 | 0.82 | ALDH1A1 (0.73) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL28290762 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MITFPKMTDP1MAPK1 | |
| SCHEMBL4860544 | 0.79 | ALDH1A1 (0.69) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL28290787 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL13431485 | 0.77 | ALDH1A1 (0.75) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL29170726 | 0.75 | ALDH1A1 (0.66) | ALDH1A1MITFPKMKMT2ASOS1 | |
| SCHEMBL45904 | 0.75 | ALDH1A1 (0.58) | ALDH1A1KMT2APOLBMAPK1GAA | |
| SCHEMBL16364413 | 0.74 | ALDH1A1 (0.50) | ALDH1A1PKMKMT2ASOS1POLB |
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 |