Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 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 | 0.88 | MITF (0.62) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL28290787 | 0.85 | ALDH1A1 (0.54) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL4058834 | 0.84 | ALDH1A1 (0.62) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL28290784 | 0.82 | ALDH1A1 (0.53) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL28334488 | 0.79 | ALDH1A1 (0.68) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL3504600 | 0.79 | ALDH1A1 (0.68) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL18518478 | 0.79 | CASP3 (0.45) | ALDH1A1KMT2AMAPTHTTCASP3 | |
| SCHEMBL29170726 | 0.78 | ALDH1A1 (0.66) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL13431485 | 0.77 | ALDH1A1 (0.75) | ALDH1A1PKMKMT2AMITFSOS1 | |
| SCHEMBL16324474 | 0.76 | ALDH1A1 (0.68) | ALDH1A1PKMKMT2AMITFSOS1 |
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-113372281-A | Synthetic method of metronidazole | 河北中科金辉药业有限公司 | 2021-09-10 | — | — | CN | disclosed |
| 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 |