Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18176776 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CA2CA9 | |
| SCHEMBL27943693 | 0.80 | CA2 (0.36) | CA2CA9 | |
| SCHEMBL18176769 | 0.79 | ALDH1A1 (0.31) | ALDH1A1CA2CA9 | |
| SCHEMBL18176772 | 0.72 | NLRP3 (0.34) | CA2 | |
| SCHEMBL13063543 | 0.72 | CA2 (0.40) | ALDH1A1CA2CA9 | |
| SCHEMBL18176774 | 0.70 | — | — | |
| SCHEMBL11776187 | 0.69 | CA1 (0.34) | CA2 | |
| SCHEMBL11777389 | 0.69 | TSHR (0.36) | ALDH1A1CA2CA9 | |
| SCHEMBL27943666 | 0.69 | CA2 (0.34) | CA2CA9 | |
| SCHEMBL18176764 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160315354-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2016-10-27 | — | — | US | disclosed |