Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16933895 | 0.80 | ALDH1A1 (0.32) | CYP1A2 | |
| SCHEMBL8019625 | 0.78 | SHBG (0.41) | SHBGCYP1A2ATMMETAP2CTSK | |
| SCHEMBL1114399 | 0.77 | NOS1 (0.46) | SHBGCYP1A2ATMNOS1NOS2 | |
| SCHEMBL5906000 | 0.77 | CYP1A2 (0.37) | SHBGCYP1A2CTSK | |
| SCHEMBL16892514 | 0.77 | SHBG (0.44) | SHBGCYP1A2ATMNOS1NOS2 | |
| SCHEMBL16933957 | 0.76 | — | — | |
| SCHEMBL5068241 | 0.76 | CHRM5 (0.35) | SHBGCYP1A2CTSK | |
| SCHEMBL8020405 | 0.75 | SHBG (0.37) | SHBGCYP1A2ATMNOS1NOS2 | |
| SCHEMBL2422889 | 0.75 | SHBG (0.42) | SHBGCYP1A2ATMCTSK | |
| SCHEMBL1524656 | 0.74 | NOS1 (0.47) | SHBGCYP1A2ATMNOS1NOS2 |
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-112645971-B | Method for directly preparing alkyl borate compound from alkyl halide | 中国科学院兰州化学物理研究所 | 2021-12-24 | — | — | CN | claimed |