Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 10/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18279728 | 1.00 | HCAR2 (0.37) | HCAR2TRPV4HRH3TBXA2RSMN1; SMN2 | |
| SCHEMBL18279752 | 0.88 | TRPV4 (0.33) | HCAR2TRPV4HRH3TBXA2RGRIN2B | |
| SCHEMBL18279731 | 0.84 | TRPV4 (0.34) | TRPV4HRH3CTSKGRIN2B | |
| SCHEMBL18279704 | 0.84 | TRPV4 (0.34) | TRPV4HRH3CTSKGRIN2B | |
| SCHEMBL17008378 | 0.84 | CTSK (0.43) | TBXA2RSMN1; SMN2ALOX5APCTSKHTT | |
| SCHEMBL18279779 | 0.84 | CTSK (0.43) | TBXA2RSMN1; SMN2ALOX5APCTSKHTT | |
| SCHEMBL18279721 | 0.83 | CTSK (0.54) | CTSK | |
| SCHEMBL18279709 | 0.79 | ALOX5AP (0.33) | ALOX5APHTT | |
| SCHEMBL18279727 | 0.79 | TRPV4 (0.33) | TRPV4HRH3GRIN2B | |
| SCHEMBL17008326 | 0.79 | TRPV4 (0.33) | TRPV4HRH3GRIN2B |
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 |