Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | GNG2 | P59768 | 1/20 | 0.32 |
| ▸ | GNB1 | P62873 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28823601 | 0.84 | — | — | |
| SCHEMBL27612010 | 0.79 | CES1 (0.40) | CES1KIF11GRIA1GRIA2GRIA3 | |
| SCHEMBL27697057 | 0.79 | — | — | |
| SCHEMBL27883165 | 0.78 | KIF11 (0.31) | CES1KIF11GNG2GNB1 | |
| SCHEMBL28022479 | 0.77 | CYP2A6 (0.34) | — | |
| SCHEMBL27939600 | 0.76 | — | — | |
| SCHEMBL8661024 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL8691558 | 0.71 | PNMT (0.40) | — | |
| SCHEMBL28751592 | 0.70 | HPRT1 (0.37) | KIF11BCL2L1BADNQO1 | |
| SCHEMBL3414799 | 0.70 | HPRT1 (0.48) | — |
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-104903323-A | Substituted spiropyrido [1,2-a ] pyrazine derivative and medical application thereof as HIV integrase inhibitor | JAPAN TOBACCO INC | 2015-09-09 | — | — | CN | disclosed |