Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | CPT2 | P23786 | 1/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636575 | 1.00 | CTSK (0.49) | CTSKSLC6A2SLC6A4CPT2CPT1A | |
| SCHEMBL16636094 | 0.93 | SLC6A2 (0.42) | CTSKSLC6A2SLC6A4CPT2CPT1A | |
| SCHEMBL16636142 | 0.91 | CTSK (0.49) | CTSKALDH1A1FAAHKDM4E | |
| SCHEMBL16635864 | 0.91 | CTSK (0.49) | CTSKALDH1A1FAAHKDM4E | |
| SCHEMBL16636141 | 0.84 | CTSK (0.42) | CTSKALDH1A1 | |
| SCHEMBL16635863 | 0.84 | CTSK (0.42) | CTSKALDH1A1 | |
| SCHEMBL24019005 | 0.84 | CTSK (0.72) | CTSK | |
| SCHEMBL16635713 | 0.84 | CTSK (0.72) | CTSK | |
| SCHEMBL16637829 | 0.84 | SLC6A2 (0.40) | CTSKSLC6A2SLC6A4CPT2CPT1A | |
| SCHEMBL16635789 | 0.81 | CTSK (0.49) | CTSKSLC6A2SLC6A4ALDH1A1FAAH |
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-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |