Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 8/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3476991 | 0.84 | GRM2 (0.35) | GRM2 | |
| SCHEMBL7808336 | 0.84 | CYP11B1 (0.39) | GRM2CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL3475398 | 0.84 | GRM2 (0.33) | GRM2CYP11B1CYP11B2GRIN1GRIN2B | |
| SCHEMBL3469755 | 0.81 | CNR1 (0.37) | GRM2CYP11B1CYP3A4 | |
| SCHEMBL3475817 | 0.81 | GRM2 (0.36) | GRM2CYP17A1 | |
| SCHEMBL3475691 | 0.81 | CNR2 (0.38) | GRM2GRIN1GRIN2BCYP3A4 | |
| SCHEMBL3476662 | 0.80 | GRM2 (0.35) | GRM2PARP10PARP11DYRK1A | |
| SCHEMBL3474766 | 0.79 | GRM2 (0.39) | GRM2 | |
| SCHEMBL7819300 | 0.77 | GRM2 (0.39) | GRM2CYP3A4 | |
| SCHEMBL3474196 | 0.77 | CNR2 (0.37) | 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 |