Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | FLT4 | P35916 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | CLK2 | P49760 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15471665 | 0.85 | CTSS (0.42) | CTSSCTSKCTSLRIPK1MAPK1 | |
| SCHEMBL31675131 | 0.79 | RIPK1 (0.49) | RIPK1CES2BCHECES1GABRA1 | |
| SCHEMBL266645 | 0.79 | RIPK1 (0.49) | RIPK1CES2BCHECES1GABRA1 | |
| SCHEMBL1547626 | 0.77 | RIPK1 (0.47) | RIPK1CES2CES1GABRA1GABRB2 | |
| SCHEMBL4328219 | 0.77 | CTSL (0.46) | CTSSCTSKCTSLGRK6CES2 | |
| SCHEMBL20343283 | 0.77 | HDAC3 (0.44) | CTSSCTSKCTSLHDAC3HDAC1 | |
| SCHEMBL3038641 | 0.76 | CES2 (0.46) | GRK6CES2BCHECES1CDK2 | |
| SCHEMBL19196278 | 0.76 | GABRA1 (0.39) | CTSSCTSKCTSLRIPK1GABRA1 | |
| SCHEMBL15471660 | 0.74 | NPC1 (0.41) | CTSSCTSKCTSLHDAC3HDAC6 | |
| SCHEMBL2508922 | 0.74 | L3MBTL1 (0.46) | CTSSCTSKCTSLKCNN4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3075816-B1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2018-05-23 | — | — | EP | disclosed |