Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 16/20 | 0.39 |
| ▸ | CA9 | Q16790 | 16/20 | 0.39 |
| ▸ | CA2 | P00918 | 8/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA5A | P35218 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL140218 | 1.00 | — | — | |
| SCHEMBL10151545 | 0.81 | CA12 (0.34) | CA12CA9CA2CA1CA5A | |
| Maleic Anhydride SCHEMBL29114735 | 0.54 | — | — | |
| SCHEMBL239146 | 0.54 | — | — | |
| Maleic Anhydride SCHEMBL11617551 | 0.52 | HSP90AA1 (0.33) | CA9CA1 | |
| SCHEMBL2785167 | 0.52 | — | — | |
| SCHEMBL10426127 | 0.51 | ALDH1A1 (0.37) | CA9CA1 | |
| SCHEMBL369085 | 0.51 | — | — | |
| Maleic Anhydride SCHEMBL191 | 0.51 | — | — | |
| Maleic Anhydride SCHEMBL1332547 | 0.51 | — | — |
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-1993016982-A1 | BICYCLO[2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS | JAMES BLACK FOUNDATION LIMITED (GB) | 1993-09-02 | — | — | WO | disclosed |