Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL28808904 | 0.87 | CA1 (0.35) | CA1CA2HDAC4 | |
| SCHEMBL28808159 | 0.85 | VEGFA (0.30) | — | |
| SCHEMBL29724089 | 0.82 | BACE1 (0.33) | CA1CA2 | |
| SCHEMBL28947412 | 0.82 | BACE1 (0.33) | CA1CA2 | |
| SCHEMBL28808907 | 0.79 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL28808901 | 0.78 | PREP (0.33) | CA1CA2 | |
| SCHEMBL15879097 | 0.78 | BACE1 (0.30) | — | |
| SCHEMBL15879095 | 0.78 | BACE1 (0.30) | — | |
| SCHEMBL15896774 | 0.78 | BACE1 (0.30) | — | |
| SCHEMBL13859278 | 0.76 | — | — |
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-114853748-A | Trifluoromethyl-containing isoxazoline derivative, and preparation method and application thereof | 武汉工程大学 | 2022-08-05 | — | — | CN | disclosed |