Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 13/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL29724107 | 1.00 | BACE1 (0.34) | BACE1CA1CA2KDRTDP1 | |
| SCHEMBL12449485 | 0.86 | MAP4K4 (0.38) | BACE1CA1CA2KDM4E | |
| SCHEMBL28947412 | 0.85 | BACE1 (0.33) | BACE1CA1CA2BACE2APP | |
| SCHEMBL29724089 | 0.85 | BACE1 (0.33) | BACE1CA1CA2BACE2APP | |
| SCHEMBL28808904 | 0.82 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL28808902 | 0.81 | HIF1A (0.35) | — | |
| SCHEMBL740580 | 0.80 | KDM4E (0.48) | CA1CA2MAPTKDM4E | |
| SCHEMBL29700184 | 0.80 | KCNH2 (0.38) | BACE1 | |
| SCHEMBL1611226 | 0.79 | NPC1 (0.33) | MAPTKDM4E | |
| SCHEMBL3358580 | 0.78 | RECQL (0.32) | CA1CA2 |
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 |