Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.52 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | CA4 | P22748 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9080987 | 0.84 | CA2 (0.50) | CA2CA1CA9CA4CA12 | |
| SCHEMBL9860007 | 0.76 | CA2 (0.59) | CA2CA1CA9CA4CA12 | |
| SCHEMBL11862290 | 0.72 | CA2 (0.53) | CA2CA1CA9CA4CA12 | |
| SCHEMBL9090300 | 0.72 | CA2 (0.53) | CA2CA1CA9CA4CA12 | |
| SCHEMBL2648743 | 0.71 | CA2 (0.64) | CA2CA1CA9CA4CA12 | |
| SCHEMBL28067350 | 0.69 | CA2 (0.50) | CA2CA1CA9CA4CA12 | |
| SCHEMBL11558152 | 0.69 | CA2 (0.50) | CA2CA1CA9CA4CA12 | |
| SCHEMBL282413 | 0.69 | CA2 (1.00) | CA2CA1CA9CA4CA12 | |
| SCHEMBL11867599 | 0.68 | CA2 (0.48) | CA2CA1CA9CA4CA12 | |
| SCHEMBL11169964 | 0.67 | CA2 (0.64) | CA2CA1CA9CA4CA12 |
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-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | claimed |