Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 7/20 | 0.54 |
| ▸ | CA2 | P00918 | 11/20 | 0.46 |
| ▸ | CA1 | P00915 | 9/20 | 0.46 |
| ▸ | CA7 | P43166 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20502378 | 0.81 | CA2 (0.59) | SLC6A9CA2CA1CA7CA9 | |
| SCHEMBL3922259 | 0.80 | MAPT (0.63) | SLC6A9ALDH1A1GPR55 | |
| SCHEMBL632171 | 0.79 | GRM5 (0.59) | ALDH1A1 | |
| SCHEMBL5037826 | 0.79 | SLC6A9 (0.71) | SLC6A9GPR55 | |
| SCHEMBL20502523 | 0.78 | ALDH1A1 (0.53) | CA2CA1CA7CA9CA12 | |
| SCHEMBL3923062 | 0.78 | ALDH1A1 (0.58) | SLC6A9CA2CA1CA7CA9 | |
| SCHEMBL4133081 | 0.78 | GRM5 (0.48) | ALDH1A1 | |
| SCHEMBL3930029 | 0.78 | SLC6A9 (0.88) | SLC6A9GPR55 | |
| SCHEMBL20141519 | 0.78 | CA12 (0.46) | CA2CA1CA7CA9CA12 | |
| SCHEMBL19212228 | 0.77 | ALDH1A1 (0.58) | ALDH1A1 |
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-3596059-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | claimed |
| CN-110392679-B | Heterocyclic compounds useful as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2023-04-07 | — | — | CN | disclosed |