Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.51 |
| ▸ | CA1 | P00915 | 8/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | USP9X | Q93008 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20502523 | 0.85 | ALDH1A1 (0.53) | CA2CA1CA9CA7ALDH1A1 | |
| SCHEMBL23628462 | 0.80 | CA2 (0.58) | CA2CA1CA9CA7CA12 | |
| SCHEMBL23628478 | 0.76 | CA2 (0.41) | CA2CA1CA9CA7CA12 | |
| SCHEMBL21834214 | 0.76 | PKM (0.53) | ALDH1A1 | |
| SCHEMBL23628465 | 0.74 | ENPP2 (0.45) | CA2CA1CA9CA7ALDH1A1 | |
| SCHEMBL20502577 | 0.72 | CA2 (0.55) | CA2CA1CA9CA7CA12 | |
| SCHEMBL30307817 | 0.71 | TGM2 (0.62) | CA2ALDH1A1 | |
| SCHEMBL23620929 | 0.71 | TGM2 (0.62) | CA2ALDH1A1 | |
| SCHEMBL23628490 | 0.71 | CA2 (0.49) | CA2CA1CA9CA7CA12 | |
| SCHEMBL20502276 | 0.71 | CA2 (0.60) | CA2CA1CA9CA7CA12 |
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 |