Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 14/20 | 0.45 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 4/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15611493 | 0.86 | GRM2 (0.45) | GRM2MAP3K14TDO2 | |
| SCHEMBL3474800 | 0.74 | GRM2 (0.48) | GRM2TDO2 | |
| SCHEMBL3475550 | 0.73 | GRM2 (0.50) | GRM2TDO2 | |
| SCHEMBL7819934 | 0.72 | GRM2 (0.53) | GRM2TDO2 | |
| SCHEMBL3475400 | 0.72 | GRM2 (0.43) | GRM2TDO2 | |
| SCHEMBL3476225 | 0.71 | GRM2 (0.47) | GRM2TDO2 | |
| SCHEMBL7816168 | 0.71 | GRM2 (0.50) | GRM2TDO2 | |
| SCHEMBL3476301 | 0.71 | GRM2 (0.44) | GRM2TDO2 | |
| SCHEMBL3475333 | 0.70 | GRM2 (0.42) | GRM2TDO2 | |
| SCHEMBL8511014 | 0.69 | GRM2 (0.61) | GRM2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | claimed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |