Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11044719 | 0.84 | MEN1 (0.47) | TDP1ALDH1A1 | |
| SCHEMBL988145 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1MYC | |
| SCHEMBL26241553 | 0.79 | CYP1A2 (0.49) | — | |
| SCHEMBL11881710 | 0.79 | MYC (0.56) | TDP1ACE2ALDH1A1MYC | |
| SCHEMBL16056966 | 0.79 | GSK3B (0.55) | ALDH1A1MYC | |
| SCHEMBL11900206 | 0.77 | TDP1 (0.53) | TDP1ALDH1A1 | |
| SCHEMBL44342 | 0.77 | MYC (0.58) | TDP1ACE2ALDH1A1MYC | |
| SCHEMBL29399874 | 0.77 | MYC (0.58) | TDP1ACE2ALDH1A1MYC | |
| SCHEMBL25527620 | 0.76 | SLC6A4 (0.51) | ALDH1A1 | |
| SCHEMBL5797936 | 0.76 | TDP1 (0.51) | TDP1ALDH1A1 |
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-111925299-A | Continuous flow method for synthesizing 3-methyl-4-butyryl-5-nitrobenzoic acid methyl ester and reaction device thereof | 浙江金立源药业有限公司 | 2020-11-13 | — | — | CN | disclosed |