Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17020281 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4BDKRB1TAS1R3TAS1R1 | |
| SCHEMBL17008210 | 0.85 | MAPT (0.40) | TAS1R3TAS1R1 | |
| SCHEMBL17008307 | 0.84 | GRK2 (0.33) | — | |
| SCHEMBL18279754 | 0.83 | SLC6A3 (0.32) | SLC6A4CHRM2CHRM4CHRM3SLC6A3 | |
| SCHEMBL18279730 | 0.80 | KCNQ3 (0.32) | SLC6A2SLC6A4 | |
| SCHEMBL17008775 | 0.80 | SLC6A4 (0.31) | SLC6A4SLC6A3 | |
| SCHEMBL17008772 | 0.80 | SLC6A4 (0.31) | SLC6A4SLC6A3 | |
| SCHEMBL2593264 | 0.71 | SLC6A2 (0.41) | SLC6A2SLC6A4BDKRB1CPT2CPT1A | |
| SCHEMBL16635759 | 0.71 | SLC6A2 (0.41) | SLC6A2SLC6A4BDKRB1CPT2CPT1A | |
| SCHEMBL20077896 | 0.68 | PDE5A (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-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |