Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 13/20 | 0.53 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | PDE8B | O95263 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3475600 | 0.87 | GRM2 (0.53) | GRM2CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL7816041 | 0.87 | GRM2 (0.59) | GRM2TDO2 | |
| SCHEMBL7819934 | 0.86 | GRM2 (0.53) | GRM2CRHR1CRHR2TDO2PDE8B | |
| SCHEMBL3475603 | 0.85 | GRM2 (0.54) | GRM2TDO2 | |
| SCHEMBL3475688 | 0.83 | GRM2 (0.49) | GRM2TDO2 | |
| SCHEMBL3476498 | 0.82 | GRM2 (0.51) | GRM2TDO2 | |
| SCHEMBL3473809 | 0.82 | GRM2 (0.49) | GRM2CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL13823761 | 0.81 | TSHR (0.50) | GRM2 | |
| SCHEMBL13726878 | 0.81 | GRM2 (0.52) | GRM2TDO2 | |
| SCHEMBL3473877 | 0.81 | GRM2 (0.53) | 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 |