Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31412866 | 1.00 | CA12 (0.50) | CA12CA1CA9HCAR1PTGS1 | |
| SCHEMBL760689 | 0.86 | CA12 (0.39) | CA12CA1CA9 | |
| SCHEMBL28194644 | 0.84 | CA12 (0.38) | CA12CA1CA9 | |
| SCHEMBL27977711 | 0.84 | CA12 (0.38) | CA12CA1CA9 | |
| SCHEMBL15972197 | 0.84 | BACE1 (0.44) | CA12CA1CA9PTGS1 | |
| SCHEMBL30918965 | 0.78 | VEGFA (0.34) | — | |
| SCHEMBL30078202 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL855104 | 0.77 | EPAS1 (0.40) | — | |
| SCHEMBL30516653 | 0.77 | ALDH1A1 (0.46) | CA1PTGS1 | |
| SCHEMBL30889325 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829308-A | Isochromene derivatives as phosphoinositide 3-kinase inhibitors | 奇斯药制品公司 | 2016-08-03 | — | — | CN | disclosed |