Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 11/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL3474835 | 0.90 | GRM2 (0.45) | GRM2ALDH1A1ATRKDM4EGAA | |
| SCHEMBL3475146 | 0.87 | GRM2 (0.42) | GRM2ALDH1A1ATRKDM4EGAA | |
| SCHEMBL3476639 | 0.82 | GRM2 (0.54) | GRM2 | |
| SCHEMBL3475495 | 0.80 | GRM2 (0.52) | GRM2 | |
| SCHEMBL3476566 | 0.80 | GRM2 (0.52) | GRM2P2RX7 | |
| SCHEMBL3475327 | 0.79 | GRM2 (0.46) | GRM2ALDH1A1KDM4EGAA | |
| SCHEMBL3476720 | 0.78 | CNR2 (0.52) | GRM2CNR2 | |
| SCHEMBL3474734 | 0.78 | GRM2 (0.52) | GRM2ALDH1A1KDM4E | |
| SCHEMBL3475474 | 0.77 | GRM2 (0.48) | GRM2 | |
| SCHEMBL3475484 | 0.76 | GRM2 (0.54) | GRM2L3MBTL1 |
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 |