Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.60 |
| ▸ | CA2 | P00918 | 13/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14241688 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CTSD | |
| SCHEMBL10682806 | 0.78 | CHKA (0.47) | CA1CA2CA12CA9 | |
| SCHEMBL1423573 | 0.76 | KEAP1 (0.60) | CA1CA2CA12CA9KIF11 | |
| SCHEMBL27673209 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CTSD | |
| Phenylsulfamide SCHEMBL27994318 | 0.75 | CA1 (1.00) | CA1CA2CA12CA9ALDH1A1 | |
| Phenylsulfamide SCHEMBL253104 | 0.75 | CA1 (1.00) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7545177 | 0.74 | CA1 (0.57) | CA1CA2ALDH1A1 | |
| Phenylsulfamide SCHEMBL1067535 | 0.73 | CA1 (0.95) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL6352180 | 0.73 | CA1 (0.64) | CA1CA2CA12CA9KIF11 | |
| SCHEMBL5684413 | 0.73 | CA1 (0.64) | CA1CA2CA12CA9KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103694195-B | Aromatic heterocyclic small molecular organic compounds and derivative, preparation method and medicinal use | EAST CHINA NORMAL UNIVERSITY (CN) | 2016-04-06 | — | — | CN | disclosed |
| CN-103694195-A | Heterocyclic aromatic micromolecule organic compounds and derivatives, preparation method and medical application | UNIV EAST CHINA NORMAL | 2014-04-02 | — | — | CN | disclosed |