Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 3/20 | 0.34 |
| ▸ | RORA | P35398 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | RORB | Q92753 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25922312 | 0.86 | ESR1 (0.46) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL21921315 | 0.82 | HTR1D (0.42) | ALDH1A1DNMT1PGRRORARORC | |
| SCHEMBL25917038 | 0.81 | ALDH1A1 (0.47) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL13589177 | 0.78 | ESR1 (0.44) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL24601403 | 0.73 | ESR1 (0.43) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL26077573 | 0.73 | KDM4E (0.42) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL25847216 | 0.72 | ESR1 (0.40) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL15836286 | 0.72 | GPR3 (0.48) | ALDH1A1MEN1KMT2AKIF11 | |
| SCHEMBL25940181 | 0.71 | CNR1 (0.39) | ESR1ESR2ALDH1A1CYP3A4NR3C2 | |
| SCHEMBL24029989 | 0.71 | ALDH1A1 (0.41) | ESR1ESR2ALDH1A1CYP3A4NR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023142485-A1 | BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 季华恒烨(佛山)电子材料有限公司 | 2023-08-03 | — | — | WO | disclosed |