Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31154413 | 0.93 | CA1 (0.38) | CA1CA2 | |
| SCHEMBL1615758 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL15472791 | 0.76 | — | — | |
| SCHEMBL11152858 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL11150578 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL15466429 | 0.74 | — | — | |
| SCHEMBL16670212 | 0.74 | DGKA (0.50) | — | |
| SCHEMBL6632783 | 0.73 | HCAR2 (0.41) | — | |
| SCHEMBL1615551 | 0.73 | HCAR2 (0.41) | — | |
| SCHEMBL10898242 | 0.73 | NR1D1 (0.35) | — |
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-118993895-A | Gem-dinitroester energetic compound and preparation method thereof | 南京理工大学 | 2024-11-22 | — | — | CN | disclosed |