Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 15/20 | 0.47 |
| ▸ | CTSK | P43235 | 14/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20181242 | 1.00 | CTSS (0.47) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL21442772 | 0.83 | CTSS (0.44) | CTSSCTSKCTSLCTSB | |
| SCHEMBL20181217 | 0.83 | CTSS (0.44) | CTSSCTSKCTSLCTSB | |
| SCHEMBL20164194 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL20181226 | 0.82 | AAK1 (0.55) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL21442822 | 0.82 | CTSS (0.43) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL20181458 | 0.82 | CTSS (0.43) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL20181312 | 0.80 | AAK1 (0.44) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL21442814 | 0.80 | AAK1 (0.44) | CTSSCTSKCTSLCTSBAAK1 | |
| SCHEMBL2061998 | 0.78 | KCNA5 (0.54) | CTSSCTSK |
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-3310777-B1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-09 | — | — | EP | disclosed |