Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5573106 | 0.82 | CA2 (0.32) | CA2CA9 | |
| SCHEMBL18176775 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CA2CA9 | |
| SCHEMBL10833024 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CA2CA9 | |
| SCHEMBL2003438 | 0.78 | CA2 (0.30) | CA2CA9 | |
| SCHEMBL18176777 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL5571149 | 0.75 | — | — | |
| SCHEMBL5574778 | 0.74 | CA2 (0.36) | CA2CA9 | |
| SCHEMBL5571534 | 0.74 | CA2 (0.41) | CA2CA9 | |
| SCHEMBL29093940 | 0.74 | — | — | |
| SCHEMBL18176774 | 0.73 | — | — |
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 |