Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2715609 | 0.80 | CA1 (0.48) | CA1CA12CA2CA14 | |
| SCHEMBL19871763 | 0.74 | PRMT3 (0.46) | CA1CA12CA2CA14 | |
| SCHEMBL2610343 | 0.73 | CA1 (0.42) | CA1CA12CA2CA14 | |
| SCHEMBL16480320 | 0.71 | CA1 (0.42) | CA1CA12CA2CA14 | |
| SCHEMBL11911269 | 0.68 | TSHR (0.37) | CA1CA12CA2CA14 | |
| SCHEMBL4886131 | 0.67 | — | — | |
| SCHEMBL245935 | 0.67 | — | — | |
| SCHEMBL18083196 | 0.65 | CA1 (0.50) | CA1CA12CA2CA14 | |
| SCHEMBL41725 | 0.65 | — | — | |
| SCHEMBL8172225 | 0.65 | — | — |
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-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |