Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL22169047 | 0.79 | CA2 (0.50) | ERN1CA1 | |
| SCHEMBL30206853 | 0.77 | TTR (0.37) | KIF11IDO1CA9CA12CA1 | |
| SCHEMBL9769337 | 0.77 | TSHR (0.43) | KIF11 | |
| SCHEMBL20600783 | 0.77 | KIF11 (0.37) | KIF11NOTUM | |
| SCHEMBL813690 | 0.77 | TTR (0.37) | KIF11IDO1CA9CA12CA1 | |
| SCHEMBL9321667 | 0.77 | CYP3A4 (0.37) | KIF11IDO1CA9CA12CA1 | |
| SCHEMBL78286 | 0.76 | ERN1 (0.56) | ERN1IDO1CA9CA12CA1 | |
| SCHEMBL9693433 | 0.75 | CES2 (0.39) | KIF11IDO1CES2CES1 | |
| SCHEMBL20600780 | 0.74 | MGLL (0.38) | ERN1KIF11 | |
| SCHEMBL30869571 | 0.74 | MGLL (0.38) | ERN1KIF11 |
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-105121596-A | Mesogenic compounds, liquid-crystalline medium and liquid-crystal display | MERCK PATENT GMBH | 2015-12-02 | — | — | CN | disclosed |