Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28548173 | 0.78 | CA1 (0.33) | CA1CA2CA9 | |
| SCHEMBL5553793 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL5830076 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL1822384 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL11327985 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL7785269 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL25699728 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL14778160 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL14779572 | 0.70 | ALDH1A1 (0.55) | ALDH1A1CA1CA2CA9USP2 | |
| SCHEMBL24753782 | 0.69 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA9USP2 |
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-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |