Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 9/20 | 0.68 |
| ▸ | CTSS | P25774 | 5/20 | 0.57 |
| ▸ | CTSK | P43235 | 5/20 | 0.57 |
| ▸ | CTSL | P07711 | 4/20 | 0.57 |
| ▸ | CTSH | P09668 | 4/20 | 0.51 |
| ▸ | CTSF | Q9UBX1 | 2/20 | 0.51 |
| ▸ | CTSV | O60911 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21152624 | 1.00 | CTSB (0.68) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL21153160 | 0.99 | CTSB (0.67) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL19983039 | 0.91 | CTSB (0.70) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL19983314 | 0.91 | CTSB (0.70) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL23023455 | 0.91 | CTSB (0.69) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL19983063 | 0.88 | CTSB (0.71) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL17646280 | 0.86 | CTSB (0.70) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL28341603 | 0.86 | CTSB (0.70) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL19983053 | 0.86 | CTSB (0.71) | CTSBCTSSCTSKCTSLCTSH | |
| SCHEMBL19983051 | 0.86 | CTSB (0.71) | CTSBCTSSCTSKCTSLCTSH |
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-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |