Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 16/20 | 0.45 |
| ▸ | CA1 | P00915 | 11/20 | 0.45 |
| ▸ | CA9 | Q16790 | 8/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL276173 | 0.98 | CA2 (0.47) | TP53CA2CA1CA9CA12 | |
| SCHEMBL7109060 | 0.93 | CA2 (0.50) | TP53CA2CA1CA9CA12 | |
| SCHEMBL276801 | 0.93 | CA2 (0.43) | TP53CA2CA1CA9CA12 | |
| SCHEMBL20542290 | 0.93 | CA2 (0.50) | TP53CA2CA1CA9CA12 | |
| SCHEMBL20074598 | 0.93 | CA2 (0.50) | TP53CA2CA1CA9CA12 | |
| SCHEMBL24665746 | 0.93 | CA2 (0.50) | TP53CA2CA1CA9CA12 | |
| Bromide SCHEMBL5769748 | 0.91 | CA2 (0.48) | TP53CA2CA1CA9CA12 | |
| SCHEMBL276258 | 0.88 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| Pentane SCHEMBL7408982 | 0.87 | CA2 (0.40) | TP53CA2CA1CA9CA12 | |
| SCHEMBL275812 | 0.86 | TP53 (0.47) | TP53CA2CA1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118005640-A | GCN2 inhibitors and uses thereof | 默克专利股份有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-111918651-B | GCN2 inhibitors and uses thereof | 默克专利股份有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-111918651-A | GCN2 inhibitors and uses thereof | 默克专利股份有限公司 | 2020-11-10 | — | — | CN | disclosed |