Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 7/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL27695836 | 0.95 | TSHR (0.42) | CA2CA1TSHRMAPK1CTSK | |
| SCHEMBL29115970 | 0.94 | TSHR (0.45) | CA2CA1TSHR | |
| SCHEMBL28697716 | 0.94 | TSHR (0.45) | CA2CA1TSHR | |
| SCHEMBL30931426 | 0.92 | HDAC1 (0.36) | CA2CA1TSHRCTSKGAA | |
| SCHEMBL28635125 | 0.86 | FAAH (0.44) | — | |
| SCHEMBL29165359 | 0.84 | CA2 (0.35) | CA2CA1TSHRMAPK1CTSK | |
| SCHEMBL25670282 | 0.84 | CA2 (0.53) | CA2CA1MAPK1CTSKGAA | |
| SCHEMBL4357657 | 0.83 | CA2 (0.46) | CA2CA1TSHRMAPK1HPGD | |
| SCHEMBL28952855 | 0.83 | CA2 (0.46) | CA2CA1TSHRMAPK1HPGD | |
| SCHEMBL29051932 | 0.83 | CA2 (0.65) | CA2CA1TSHRMAPK1HPGD |
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-113423703-A | Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-09-21 | — | — | CN | disclosed |