Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 7/20 | 0.54 |
| ▸ | KIF11 | P52732 | 8/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13928000 | 0.81 | KCNN4 (0.61) | KCNN4NPC1RAB9ACES2CES1 | |
| SCHEMBL6045338 | 0.80 | KCNN4 (0.55) | KCNN4KIF11NPC1RAB9ACES2 | |
| SCHEMBL2319756 | 0.79 | KMT2A (0.54) | KIF11NPC1RAB9ACES2CES1 | |
| SCHEMBL2316036 | 0.78 | KCNN4 (0.53) | KCNN4KIF11NPC1RAB9ACES2 | |
| SCHEMBL12199475 | 0.78 | KIF11 (0.56) | KIF11ACHENPC1RAB9AKCNH2 | |
| SCHEMBL12276567 | 0.78 | ACHE (0.60) | KIF11ACHENPC1RAB9ACES2 | |
| SCHEMBL5060670 | 0.78 | KIF11 (0.50) | KIF11NPC1RAB9ACES2CES1 | |
| SCHEMBL812971 | 0.77 | KCNN4 (0.76) | KCNN4NPSR1 | |
| SCHEMBL12459850 | 0.76 | ACHE (0.58) | KIF11ACHENPC1RAB9AKCNH2 | |
| SCHEMBL28316877 | 0.76 | KCNN4 (0.59) | KCNN4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016093175-A1 | METHOD FOR PRODUCING TRI(HETERO)ARYLACETONITRILE COMPOUND | 国立大学法人名古屋大学 | 2016-06-16 | — | — | WO | disclosed |