Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 1/20 | 0.38 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRM8 | O00222 | 1/20 | 0.34 |
| ▸ | GRM6 | O15303 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PEPD | P12955 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL584456 | 0.80 | GRM2 (0.43) | TSHRGRM4CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL16635812 | 0.76 | SLC6A12 (0.39) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL10773163 | 0.74 | GRM2 (0.37) | SLC6A11TSHRGRM4CYP2C19CYP1A2 | |
| SCHEMBL16617788 | 0.68 | SLC6A12 (0.41) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL6120873 | 0.67 | CYP1A2 (0.43) | TSHRCYP2C19MEN1CYP1A2KMT2A | |
| SCHEMBL4332346 | 0.66 | SLC6A12 (0.47) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL4335166 | 0.66 | SLC6A12 (0.47) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL19526314 | 0.65 | GRM4 (0.46) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL4069142 | 0.65 | SLC6A12 (0.45) | SLC6A12SLC6A11POLBTSHRGRM4 | |
| SCHEMBL10704175 | 0.65 | SLC6A12 (0.45) | SLC6A12SLC6A11POLBTSHRGRM4 |
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-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |