Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18279779 | 1.00 | CTSK (0.43) | CTSKSMN1; SMN2TAAR1PDK2KMT2A | |
| SCHEMBL18279735 | 0.88 | CTSK (0.42) | CTSKPDK2CA12CA1CA2 | |
| SCHEMBL18279819 | 0.85 | NPC1 (0.46) | CTSKSMN1; SMN2PDK2KMT2AMEN1 | |
| SCHEMBL18279728 | 0.84 | HCAR2 (0.37) | CTSKSMN1; SMN2TAAR1TBXA2RHTT | |
| SCHEMBL17008778 | 0.84 | HCAR2 (0.37) | CTSKSMN1; SMN2TAAR1TBXA2RHTT | |
| SCHEMBL18279757 | 0.81 | CTSK (0.67) | CTSK | |
| SCHEMBL17008714 | 0.81 | CTSK (0.67) | CTSK | |
| SCHEMBL18279807 | 0.78 | PDK2 (0.35) | CTSKSMN1; SMN2PDK2KMT2AMEN1 | |
| SCHEMBL18279750 | 0.78 | GRM4 (0.34) | TBXA2RALOX5AP | |
| SCHEMBL18279717 | 0.78 | CTSK (0.46) | CTSKSMN1; SMN2KMT2AMEN1ALOX5AP |
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-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-03 | — | — | EP | disclosed |
| US-9656990-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-05-23 | — | — | US | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |