Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.32 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18279730 | 1.00 | KCNQ3 (0.32) | KCNQ3KCNQ2KCNQ4KCNQ5SLC6A2 | |
| SCHEMBL17008207 | 0.87 | MAPT (0.36) | — | |
| SCHEMBL17008637 | 0.86 | POLB (0.36) | KCNQ3KCNQ2KCNQ4KCNQ5 | |
| SCHEMBL17008339 | 0.80 | SLC6A2 (0.45) | SLC6A2SLC6A4 | |
| SCHEMBL17020281 | 0.80 | SLC6A2 (0.45) | SLC6A2SLC6A4 | |
| SCHEMBL18279754 | 0.77 | SLC6A3 (0.32) | SLC6A4 | |
| SCHEMBL17008775 | 0.74 | SLC6A4 (0.31) | SLC6A4 | |
| SCHEMBL17008772 | 0.74 | SLC6A4 (0.31) | SLC6A4 | |
| SCHEMBL17008751 | 0.73 | SLC6A9 (0.34) | — | |
| SCHEMBL17008749 | 0.73 | SLC6A9 (0.34) | — |
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 |