Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 3/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 5/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.31 |
| ▸ | ADAMTS7 | Q9UKP4 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | PDE9A | O76083 | 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 | |
|---|---|---|---|---|
| SCHEMBL17008749 | 1.00 | SLC6A9 (0.34) | SLC6A9TRPV4HRH3CTSKOXTR | |
| SCHEMBL18279731 | 0.90 | TRPV4 (0.34) | SLC6A9TRPV4HRH3CTSKOXTR | |
| SCHEMBL18279704 | 0.90 | TRPV4 (0.34) | SLC6A9TRPV4HRH3CTSKOXTR | |
| SCHEMBL18279719 | 0.84 | CTSK (0.48) | CTSK | |
| SCHEMBL18279727 | 0.82 | TRPV4 (0.33) | SLC6A9TRPV4HRH3GRIN2B | |
| SCHEMBL17008326 | 0.82 | TRPV4 (0.33) | SLC6A9TRPV4HRH3GRIN2B | |
| SCHEMBL18279728 | 0.74 | HCAR2 (0.37) | TRPV4HRH3CTSKGRIN2B | |
| SCHEMBL17008778 | 0.74 | HCAR2 (0.37) | TRPV4HRH3CTSKGRIN2B | |
| SCHEMBL17008235 | 0.73 | KCNQ3 (0.32) | — | |
| SCHEMBL18279730 | 0.73 | KCNQ3 (0.32) | — |
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-3104705-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |