Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 20/20 | 0.38 |
| ▸ | CA2 | P00918 | 20/20 | 0.38 |
| ▸ | CA4 | P22748 | 8/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3929771 | 0.79 | LCK (0.40) | CA1CA2CA12CA9 | |
| SCHEMBL3377925 | 0.78 | TDP1 (0.39) | CA1CA2CA4 | |
| SCHEMBL11843588 | 0.77 | CA1 (0.47) | CA1CA2CA4CA12CA9 | |
| SCHEMBL934352 | 0.75 | ALDH1A1 (0.46) | CA1CA2CA4CA12CA9 | |
| SCHEMBL5797761 | 0.75 | ALDH1A1 (0.49) | CA1CA2CA4CA12CA9 | |
| SCHEMBL3377946 | 0.74 | POLB (0.47) | — | |
| SCHEMBL935363 | 0.74 | ALDH1A1 (0.45) | CA1CA2CA4CA12CA9 | |
| SCHEMBL9549613 | 0.74 | ALDH1A1 (0.47) | CA1CA2CA4CA12CA9 | |
| SCHEMBL9719517 | 0.74 | ALDH1A1 (0.47) | CA1CA2CA4CA12CA9 | |
| SCHEMBL3373409 | 0.73 | TDP1 (0.35) | CA1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010079409-A2 | USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS | ECOLAB INC. (US) | 2010-07-15 | — | — | WO | disclosed |
| US-7645731-B1 | Use of aminocarboxylate functionalized catechols for cleaning applications | ECOLAB INC. (US) | 2010-01-12 | — | — | US | disclosed |