Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12332410 | 0.92 | CA1 (0.32) | CA1CA7CA2CA13 | |
| SCHEMBL12715454 | 0.86 | CA1 (0.35) | CA1CA7CA2CA13 | |
| SCHEMBL1697213 | 0.80 | PDK1 (0.33) | CA1CA7CA12CA14 | |
| SCHEMBL17025659 | 0.75 | — | — | |
| SCHEMBL19620986 | 0.75 | — | — | |
| SCHEMBL92500 | 0.75 | GABRA1 (0.50) | — | |
| SCHEMBL14000722 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL12878422 | 0.75 | PTGS1 (0.35) | CA1CA2 | |
| SCHEMBL10147792 | 0.74 | CA1 (0.33) | CA1CA7CA12CA14CA2 | |
| SCHEMBL16104881 | 0.74 | CA1 (0.33) | CA1CA7CA12CA14CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4490676-A1 | QUANTUM-KERNEL-BASED REGRESSION | Pasqal Netherlands B.V. (NL) | 2025-01-15 | — | — | EP | disclosed |
| WO-2023170003-A1 | QUANTUM-KERNEL-BASED REGRESSION | QU&CO R&D B.V. (NL) | 2023-09-14 | — | — | WO | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |