Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 14/20 | 0.45 |
| ▸ | CTSL | P07711 | 5/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4908419 | 0.93 | NPC1 (0.44) | CTSKCTSLCTSSCTSBNPC1 | |
| SCHEMBL6645914 | 0.84 | CTSK (0.42) | CTSKCTSLCTSSCTSBNPC1 | |
| SCHEMBL6645916 | 0.84 | CTSK (0.42) | CTSKCTSLCTSSCTSBNPC1 | |
| SCHEMBL14260249 | 0.83 | CTSK (0.60) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4908421 | 0.81 | NPC1 (0.41) | NPC1ALDH1A1CYP1A2NFKB1CYP2C19 | |
| SCHEMBL6645850 | 0.74 | CTSK (0.73) | CTSKCTSLCTSSCTSB | |
| SCHEMBL6647428 | 0.74 | CTSK (0.74) | CTSKCTSLCTSSCTSB | |
| SCHEMBL6645662 | 0.72 | CTSK (0.73) | CTSKCTSLCTSSCTSB | |
| SCHEMBL5636392 | 0.72 | CTSK (0.73) | CTSKCTSLCTSSCTSB | |
| SCHEMBL6646244 | 0.72 | GAA (0.43) | CTSKCTSLCTSSNPC1ALDH1A1 |
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-1465862-A1 | CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS | SmithKline Beecham Corporation (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003062192-A1 | CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-07-31 | — | — | WO | disclosed |