Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 4/20 | 0.42 |
| ▸ | NMT1 | P30419 | 13/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3474262 | 0.85 | GRM2 (0.43) | GRM2TDO2 | |
| SCHEMBL3474658 | 0.81 | GRM2 (0.48) | GRM2TDO2 | |
| SCHEMBL3477057 | 0.81 | GRM2 (0.48) | GRM2TDO2DYRK1A | |
| SCHEMBL13727861 | 0.78 | GRM2 (0.46) | GRM2TDO2 | |
| SCHEMBL3475603 | 0.78 | GRM2 (0.54) | GRM2TDO2DYRK1A | |
| SCHEMBL3475409 | 0.74 | GRM2 (0.53) | GRM2TDO2 | |
| SCHEMBL7816041 | 0.74 | GRM2 (0.59) | GRM2TDO2 | |
| SCHEMBL3474286 | 0.74 | RET (0.43) | GRM2TDO2 | |
| SCHEMBL3476720 | 0.74 | CNR2 (0.52) | GRM2TDO2 | |
| SCHEMBL3474835 | 0.73 | GRM2 (0.45) | GRM2 |
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 |