Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 7/20 | 0.37 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 3/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL2156169 | 0.85 | CTSL (0.49) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2155192 | 0.84 | CTSK (0.49) | CTSKAKR1C3AKR1C2GCGRCTSL | |
| SCHEMBL2157336 | 0.82 | CTSL (0.40) | CTSKAKR1C3AKR1C2CTSLCTSS | |
| SCHEMBL2155056 | 0.81 | CTSL (0.40) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2156690 | 0.80 | CTSK (0.48) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2155032 | 0.79 | CTSL (0.37) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2156797 | 0.79 | CTSK (0.41) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2156494 | 0.78 | CTSL (0.37) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2156157 | 0.78 | CTSL (0.46) | CTSKCTSLCTSSCTSB | |
| SCHEMBL2157094 | 0.77 | CTSK (0.36) | CTSKCTSLCTSSCTSB |
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-1482924-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2006-03-08 | — | — | EP | disclosed |
| EP-1482924-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003075836-A2 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-09-18 | — | — | WO | disclosed |