Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | NPR3 | P17342 | 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 | |
|---|---|---|---|---|
| SCHEMBL7437701 | 0.85 | CA12 (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL7437694 | 0.85 | CA12 (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL7438400 | 0.85 | CA12 (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL4372563 | 0.80 | CTSK (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL16894118 | 0.80 | CTSK (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL3958728 | 0.80 | CTSK (0.42) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL1058824 | 0.76 | GAA (0.40) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL7431249 | 0.76 | GAA (0.40) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL24269352 | 0.74 | CYP2D6 (0.44) | CYP2D6CTSKCTSSCA2CA1 | |
| SCHEMBL7436296 | 0.74 | CYP2D6 (0.39) | CYP2D6CTSKCTSSCA2CA1 |
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-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |