Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 20/20 | 0.63 |
| ▸ | CA2 | P00918 | 20/20 | 0.63 |
| ▸ | CA7 | P43166 | 20/20 | 0.63 |
| ▸ | CA9 | Q16790 | 20/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 19/20 | 0.63 |
| ▸ | CA12 | O43570 | 18/20 | 0.63 |
| ▸ | CA3 | P07451 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17363200 | 0.80 | CA1 (0.61) | CA1CA2CA7CA9CA14 | |
| SCHEMBL14493373 | 0.80 | CA12 (0.87) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23628470 | 0.79 | CA2 (0.45) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23628462 | 0.77 | CA2 (0.58) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23628479 | 0.77 | CA12 (0.42) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23628465 | 0.77 | ENPP2 (0.45) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23628478 | 0.76 | CA2 (0.41) | CA1CA2CA7CA9CA14 | |
| SCHEMBL18315558 | 0.76 | CA12 (0.60) | CA1CA2CA7CA9CA14 | |
| SCHEMBL21485402 | 0.75 | CA2 (0.61) | CA1CA2CA7CA9CA14 | |
| SCHEMBL3570536 | 0.73 | CA12 (0.78) | CA1CA2CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3353178-B1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-07-14 | — | — | EP | claimed |