Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.43 |
| ▸ | HTR1A | P08908 | 9/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 8/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14039677 | 0.78 | GRIN1 (0.45) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL19251049 | 0.75 | ADRA1A (0.44) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL18978977 | 0.75 | ADRA1A (0.44) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL18978964 | 0.75 | ADRA1A (0.48) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL29824421 | 0.75 | MAPT (0.38) | GRIN1GRIN2A | |
| SCHEMBL13745023 | 0.74 | OPRM1 (0.37) | GRIN1GRIN2A | |
| SCHEMBL1256099 | 0.74 | CHEK2 (0.39) | GRIN1GRIN2A | |
| SCHEMBL7815955 | 0.74 | ADRA1A (0.47) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL10501590 | 0.71 | GRIN1 (0.46) | GRIN1GRIN2AADRA1AHTR1AADRA1B | |
| SCHEMBL28725411 | 0.71 | GRIN1 (0.46) | GRIN1GRIN2AADRA1AHTR1AADRA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116813632-A | Preparation method of gadobutrol epoxy side chain intermediate | 安庆朗坤药业有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116813632-A | Preparation method of gadobutrol epoxy side chain intermediate | 安庆朗坤药业有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-114853690-A | Preparation method of butonol | 上海键合医药科技有限公司 | 2022-08-05 | — | — | CN | disclosed |