Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.56 |
| ▸ | ACKR3 | P25106 | 11/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617569 | 1.00 | CTSK (0.56) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16637866 | 0.94 | CTSK (0.63) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16617572 | 0.94 | CTSK (0.63) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16617083 | 0.89 | CTSK (0.57) | CTSKACKR3CTSBCTSSJAK2 | |
| SCHEMBL16617587 | 0.86 | CTSK (0.75) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16617084 | 0.83 | CTSK (0.64) | CTSKCTSBCTSSJAK2 | |
| SCHEMBL16617568 | 0.83 | CTSK (0.48) | CTSKACKR3KCNH2NTRK1JAK2 | |
| SCHEMBL16646189 | 0.82 | CTSK (0.63) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16646190 | 0.81 | CTSK (0.63) | CTSKACKR3CTSBCTSSKCNH2 | |
| SCHEMBL16617586 | 0.81 | CTSK (0.84) | CTSKACKR3CTSBCTSSKCNH2 |
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 | claimed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | claimed |