Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5493731 | 0.97 | ESR1 (0.56) | ESR1GABRA1GABRB2TSHRACHE | |
| SCHEMBL29392590 | 0.97 | ESR1 (0.56) | ESR1GABRA1GABRB2TSHRACHE | |
| SCHEMBL40597 | 0.97 | ESR1 (0.56) | ESR1GABRA1GABRB2TSHRACHE | |
| SCHEMBL27612057 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| Iodide SCHEMBL29230048 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| Water SCHEMBL3656564 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| Ammonia Solution, Strong SCHEMBL15769983 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| Fluoride SCHEMBL28113471 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| SCHEMBL31498556 | 0.94 | ESR1 (0.54) | ESR1GABRA1GABRB2TSHRACHE | |
| Hydrogen Peroxide SCHEMBL10348374 | 0.92 | GABRA1 (0.54) | ESR1GABRA1GABRB2TSHRACHE |
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-111499538-B | Preparation method of (2S, 3R) -2-acylaminomethyl-3-hydroxybutyrate | 南方科技大学 | 2023-02-17 | — | — | CN | disclosed |