Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 14/20 | 0.50 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3474857 | 0.81 | GRM2 (0.55) | GRM2TDO2KDM4E | |
| SCHEMBL3476569 | 0.80 | GRM2 (0.53) | GRM2TDO2 | |
| SCHEMBL7816041 | 0.79 | GRM2 (0.59) | GRM2TDO2DHFR | |
| SCHEMBL3476564 | 0.78 | GRM2 (0.50) | GRM2TDO2KDM4E | |
| SCHEMBL3475163 | 0.78 | GRM2 (0.65) | GRM2TDO2 | |
| SCHEMBL3475834 | 0.78 | GRM2 (0.52) | GRM2TDO2KDM4E | |
| SCHEMBL3476639 | 0.77 | GRM2 (0.54) | GRM2TDO2 | |
| SCHEMBL3478528 | 0.76 | GRM2 (0.50) | GRM2TDO2KDM4E | |
| SCHEMBL3475606 | 0.76 | GRM2 (0.49) | GRM2TDO2DHFR | |
| SCHEMBL3475495 | 0.76 | GRM2 (0.52) | 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 |