Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.40 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.40 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18279732 | 1.00 | CTSK (0.47) | CTSKSLC6A2SLC6A4NSD2NSD1 | |
| SCHEMBL18279717 | 0.92 | CTSK (0.46) | CTSKNSD2NSD1NSD3LPAR5 | |
| SCHEMBL18279735 | 0.82 | CTSK (0.42) | CTSKSLC6A2SLC6A4LMNAL3MBTL1 | |
| SCHEMBL18279823 | 0.78 | CTSK (0.75) | CTSKSLC6A2SLC6A4NSD2NSD1 | |
| SCHEMBL17008335 | 0.76 | SLC6A2 (0.38) | CTSKSLC6A2SLC6A4SMN1; SMN2KMT2A | |
| SCHEMBL18039450 | 0.72 | ELANE (0.48) | LMNAL3MBTL1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL18279819 | 0.71 | NPC1 (0.46) | CTSKLMNASMN1; SMN2TP53FAAH | |
| SCHEMBL18279740 | 0.70 | CTSK (0.66) | CTSKNSD2NSD1NSD3LPAR5 | |
| SCHEMBL18279759 | 0.70 | CTSK (0.66) | CTSKNSD2NSD1NSD3LPAR5 | |
| SCHEMBL18279760 | 0.70 | CTSK (0.75) | CTSKNSD2NSD1NSD3LPAR5 |
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-3104705-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |