Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.43 |
| ▸ | CA2 | P00918 | 7/20 | 0.43 |
| ▸ | CA9 | Q16790 | 7/20 | 0.43 |
| ▸ | F11 | P03951 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.39 |
| ▸ | LPL | P06858 | 7/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28490255 | 0.94 | CA1 (0.44) | CA1CA2CA9F11F2 | |
| SCHEMBL28817158 | 0.84 | AAK1 (0.38) | CA1CA2CA9F11F2 | |
| SCHEMBL16908889 | 0.78 | CA1 (0.40) | CA1CA2CA9F11F2 | |
| SCHEMBL16050277 | 0.78 | LIPG (0.43) | CA1CA2CA9F11F2 | |
| SCHEMBL28817245 | 0.78 | F11 (0.42) | CA1CA2CA9F11F2 | |
| SCHEMBL3680238 | 0.77 | F11 (0.48) | CA1CA2CA9F11F2 | |
| SCHEMBL29021133 | 0.76 | F11 (0.33) | CA1CA2CA9F11F2 | |
| SCHEMBL22657406 | 0.76 | AAK1 (0.43) | CA1CA2CA9F11F2 | |
| SCHEMBL12845014 | 0.76 | LPL (0.44) | CA1CA2CA9F11CA12 | |
| SCHEMBL28817155 | 0.75 | F11 (0.44) | CA1CA2CA9F11F2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2473495-A1 | PHARMACEUTICAL COMPOUNDS | Almac Discovery Limited (GB) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011033265-A1 | PHARMACEUTICAL COMPOUNDS | ALMAC DISCOVERY LIMITED (GB) | 2011-03-24 | — | — | WO | disclosed |