Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8815319 | 0.88 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL24672314 | 0.88 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL13191781 | 0.88 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL17913474 | 0.85 | CYP3A4 (0.33) | — | |
| SCHEMBL12302343 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL16884139 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL13194019 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL1739854 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL24672313 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL11965635 | 0.82 | CA2 (0.35) | CA2CA1CA9ALDH1A1 |
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-1997005132-A1 | AMINOACYL ADENYLATE MIMICS AS NOVEL ANTIMICROBIAL AND ANTIPARASITIC AGENTS | CUBIST PHARMACEUTICALS, INC. (US) | 1997-02-13 | — | — | WO | disclosed |