Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8505408 | 1.00 | ESR2 (0.40) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27890584 | 0.84 | ALDH1A1 (0.40) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11848078 | 0.81 | ALDH1A1 (0.39) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29061985 | 0.81 | ALDH1A1 (0.41) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL954801 | 0.81 | ALDH1A1 (0.41) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9451798 | 0.81 | ESR2 (0.41) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7717092 | 0.80 | ESR2 (0.46) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9451717 | 0.79 | ESR1 (0.44) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7099557 | 0.79 | ESR1 (0.63) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29061981 | 0.79 | KMT2A (0.46) | ESR2ESR1ALDH1A1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116655482-B | Preparation method of gamma-aminobutyric acid derivatives | 贵州大学 | 2024-06-04 | — | — | CN | disclosed |
| CN-116655482-A | Preparation method of gamma-aminobutyric acid derivatives | 贵州大学 | 2023-08-29 | — | — | CN | disclosed |