Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL21723580 | 0.86 | TSHR (0.47) | ALDH1A1HSP90AA1HSD17B2 | |
| SCHEMBL21723902 | 0.84 | MTOR (0.38) | CA2ALDH1A1BLMHSP90AA1 | |
| SCHEMBL21724251 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HSP90AA1 | |
| SCHEMBL21724331 | 0.80 | PYCR1 (0.39) | ALDH1A1HSP90AA1 | |
| SCHEMBL21723951 | 0.79 | PYCR1 (0.48) | ALDH1A1 | |
| SCHEMBL21723948 | 0.79 | MAOA (0.35) | — | |
| SCHEMBL21724804 | 0.78 | DAO (0.43) | ALDH1A1 | |
| SCHEMBL21723914 | 0.78 | PYCR1 (0.41) | ALDH1A1 | |
| SCHEMBL21723969 | 0.78 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL21724766 | 0.78 | TACR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | claimed |