Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL954150 | 1.00 | CCR1 (0.39) | CCR1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL953306 | 0.85 | CES2 (0.37) | CCR1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL23356101 | 0.81 | CYP3A4 (0.37) | ALDH1A1MEN1KMT2AGAAMC4R | |
| SCHEMBL8646951 | 0.78 | TSHR (0.35) | ALDH1A1MEN1KMT2AGAATSHR | |
| SCHEMBL953265 | 0.78 | CES2 (0.37) | KMT2A | |
| SCHEMBL1482971 | 0.78 | IDO1 (0.41) | CCR1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL2554095 | 0.77 | TSHR (0.57) | CCR1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL5860173 | 0.77 | ALDH1A1 (0.42) | CCR1ALDH1A1GAATDP1MC4R | |
| SCHEMBL14098356 | 0.77 | CCR1 (0.39) | CCR1ALDH1A1TSHRCYP3A4IDO1 | |
| SCHEMBL622659 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAATDP1TSHRCYP3A4 |
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 |