Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 10/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501383 | 0.75 | CA2 (0.52) | CA1CA2ADORA2AADORA1 | |
| SCHEMBL30744202 | 0.72 | TRPM5 (0.42) | TRPM5TRPA1TRPM4GSK3B | |
| SCHEMBL23501401 | 0.72 | TRPM5 (0.42) | TRPM5TRPA1TRPM4GSK3B | |
| SCHEMBL20399916 | 0.72 | ADORA2A (0.32) | CA1CA2ADORA2AADORA1PDE4A | |
| SCHEMBL29344095 | 0.69 | DRD2 (0.35) | CA1CA2AURKB | |
| SCHEMBL31408602 | 0.68 | CSNK2A1 (0.41) | CA1CA2CSNK2A1 | |
| SCHEMBL8500197 | 0.66 | EPAS1 (0.40) | ADORA2AADORA1PDE4APDE4CPDE4D | |
| SCHEMBL1411551 | 0.66 | PTGS1 (0.46) | PTGS1PTGS2 | |
| SCHEMBL10157971 | 0.66 | DRD2 (0.34) | CA1CA2PTGS2 | |
| SCHEMBL10356772 | 0.66 | AHR (0.42) | — |
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-112979675-B | Small molecular sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-112979675-A | Small-molecule sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2021-06-18 | — | — | CN | disclosed |
| WO-2021115495-A1 | SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND | 维眸生物科技（上海）有限公司 | 2021-06-17 | — | — | WO | disclosed |