Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9131072 | 0.82 | CA2 (0.53) | CA2HTR2ATAAR1 | |
| SCHEMBL5145167 | 0.80 | SLC6A2 (0.54) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL9085340 | 0.79 | CA2 (0.56) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL28458665 | 0.78 | CA1 (0.54) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL21448664 | 0.77 | CA2 (0.38) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL256214 | 0.73 | SLC6A2 (0.61) | HTR2ATAAR1IDO1 | |
| SCHEMBL1737226 | 0.73 | ESR1 (0.43) | HTR2ATAAR1IDO1 | |
| SCHEMBL799906 | 0.72 | ESR1 (0.58) | HTR2ATAAR1IDO1 | |
| SCHEMBL30338274 | 0.72 | TAAR1 (0.43) | HTR2ATAAR1IDO1 | |
| SCHEMBL751764 | 0.71 | PLCG1 (0.41) | CA2CA1CA9CA5ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023109912-A1 | 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2023-06-22 | — | — | WO | disclosed |