Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL58165 | 0.91 | TSHR (0.70) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL28963881 | 0.89 | TSHR (0.67) | TSHRCA1CA2CA9CA7 | |
| Magnesium Chloride Anhydrous SCHEMBL28566339 | 0.87 | TSHR (0.58) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL1890425 | 0.84 | TSHR (0.61) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL28364886 | 0.83 | TSHR (0.54) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL23441237 | 0.83 | TSHR (0.58) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL9489594 | 0.83 | TSHR (0.58) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL2401846 | 0.83 | TSHR (0.58) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL28398058 | 0.80 | TSHR (0.61) | TSHRCA1CA2CA9CA7 | |
| SCHEMBL4675777 | 0.80 | TSHR (0.61) | TSHRCA1CA2CA9CA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107880011-B | The synthetic method of Lu Makatuo key intermediate | 山东省医学科学院药物研究所 | 2019-08-16 | — | — | CN | claimed |
| CN-107880011-A | The synthetic method of Shandong agate Kato key intermediate | 山东省医学科学院药物研究所 | 2018-04-06 | — | — | CN | claimed |
| CN-107880011-B | The synthetic method of Lu Makatuo key intermediate | 山东省医学科学院药物研究所 | 2019-08-16 | — | — | CN | disclosed |
| CN-107880011-A | The synthetic method of Shandong agate Kato key intermediate | 山东省医学科学院药物研究所 | 2018-04-06 | — | — | CN | disclosed |