Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.75 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.75 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL3060894 | 0.93 | ESR1 (0.75) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL547164 | 0.86 | ESR1 (1.00) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL9810145 | 0.86 | ESR1 (1.00) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL296781 | 0.86 | ESR1 (1.00) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL1171038 | 0.86 | ESR1 (1.00) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| Ammonia Solution, Strong SCHEMBL5329244 | 0.84 | ESR1 (0.96) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL2847799 | 0.83 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL4905759 | 0.81 | ESR1 (0.88) | ESR1ESR2TAAR1SLC6A2MEN1 | |
| SCHEMBL1602384 | 0.81 | ESR1 (0.81) | ESR1ESR2TAAR1SLC6A2PDCD1 | |
| SCHEMBL9817988 | 0.81 | ESR1 (0.88) | ESR1ESR2TAAR1SLC6A2MEN1 |
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-114206967-B | Organic-inorganic hybrid material, preparation method thereof and preparation method of initial raw material thereof | 诠达化学股份有限公司 | 2023-11-10 | — | — | CN | claimed |