Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9222625 | 0.96 | CA12 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1702317 | 0.96 | — | — | |
| SCHEMBL21800959 | 0.93 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL8861886 | 0.93 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| Benzene SCHEMBL18167281 | 0.90 | ALDH1A1 (0.36) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL760725 | 0.89 | — | — | |
| SCHEMBL451827 | 0.89 | CA12 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| Benzene SCHEMBL11850142 | 0.87 | ALDH1A1 (0.35) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1486053 | 0.85 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2809923 | 0.85 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 |
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-101367771-A | Synthesis of 1-substituted-5-sulfhydryl-tetrazole compounds or its salt | UNIV QINGDAO SCIENCE & TECHNOLOGY (CN) | 2009-02-18 | — | — | CN | disclosed |