Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765757 | 0.84 | BCHE (0.49) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL1720194 | 0.79 | ALDH1A1 (0.67) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL8621389 | 0.79 | GAA (0.55) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL2095021 | 0.77 | GAA (0.53) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL29244564 | 0.77 | GAA (0.53) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL1696921 | 0.77 | LMNA (0.50) | BCHEKMT2AHPGDCYP2D6CYP2C19 | |
| SCHEMBL28058232 | 0.77 | BCHE (0.55) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL1129046 | 0.77 | CYP2D6 (0.56) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL21201600 | 0.77 | GAA (0.53) | BCHEGAAALDH1A1KMT2AHPGD | |
| SCHEMBL483304 | 0.76 | ALDH1A1 (0.50) | BCHEGAAALDH1A1KMT2AHPGD |
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-114555610-A | Boronic ester prodrugs and uses thereof | 麻省理工学院 | 2022-05-27 | — | — | CN | disclosed |