Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 14/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16618010 | 1.00 | CTSK (0.40) | CTSKHDAC6ALOX5APACKR3CNR1 | |
| SCHEMBL16617824 | 1.00 | CTSK (0.40) | CTSKHDAC6ALOX5APACKR3CNR1 | |
| SCHEMBL16618101 | 0.89 | CTSK (0.49) | CTSKALOX5APCNR1 | |
| SCHEMBL16617323 | 0.88 | ACKR3 (0.46) | CTSKHDAC6ALOX5APACKR3CNR1 | |
| SCHEMBL16617324 | 0.88 | ACKR3 (0.46) | CTSKHDAC6ALOX5APACKR3CNR1 | |
| SCHEMBL16616900 | 0.87 | IKBKB (0.39) | CTSKALOX5AP | |
| SCHEMBL16617381 | 0.87 | IKBKB (0.39) | CTSKALOX5AP | |
| SCHEMBL16618002 | 0.82 | CTSK (0.63) | CTSK | |
| SCHEMBL16618136 | 0.81 | CTSK (0.36) | CTSKALOX5AP | |
| SCHEMBL16618090 | 0.78 | CTSK (0.34) | CTSKALOX5APCNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |