Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 2/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4703077 | 0.93 | CTSS (0.50) | CTSSCTSKRETJAK2JAK3 | |
| SCHEMBL4703076 | 0.93 | CTSS (0.50) | CTSSCTSKRETJAK2JAK3 | |
| SCHEMBL4699262 | 0.87 | CTSS (0.60) | CTSSCTSKRETMAPTALDH1A1 | |
| SCHEMBL6231300 | 0.85 | CTSS (0.47) | CTSSCTSKRETSYKJAK2 | |
| SCHEMBL6231296 | 0.85 | CTSS (0.47) | CTSSCTSKRETSYKJAK2 | |
| SCHEMBL4698362 | 0.85 | MAPT (0.48) | CTSSCTSKRETMAPTALDH1A1 | |
| SCHEMBL4698365 | 0.85 | MAPT (0.48) | CTSSCTSKRETMAPTALDH1A1 | |
| SCHEMBL4703398 | 0.79 | CTSS (0.60) | CTSSCTSKRETMAPTALDH1A1 | |
| SCHEMBL4699260 | 0.77 | CTSS (0.47) | CTSSCTSKRETJAK2MAPT | |
| SCHEMBL4700169 | 0.76 | CTSS (0.50) | CTSSCTSKRETJAK2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1372655-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-10-12 | — | — | EP | disclosed |
| EP-1372655-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002069901-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2002-09-12 | — | — | WO | disclosed |