Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 11/20 | 0.44 |
| ▸ | PRKACA | P17612 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.41 |
| ▸ | GSK3B | P49841 | 5/20 | 0.41 |
| ▸ | CDC7 | O00311 | 3/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.38 |
| ▸ | AURKA | O14965 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.38 |
| ▸ | PRKCG | P05129 | 4/20 | 0.38 |
| ▸ | CDK1 | P06493 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | GSK3A | P49840 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7811889 | 0.78 | DYRK1A (0.35) | DYRK1A | |
| SCHEMBL3476520 | 0.77 | RAB9A (0.41) | DYRK1A | |
| SCHEMBL3474851 | 0.76 | FEN1 (0.40) | CDK2CHUKFLT3 | |
| SCHEMBL3476991 | 0.76 | GRM2 (0.35) | — | |
| SCHEMBL7819300 | 0.76 | GRM2 (0.39) | MAPK1 | |
| SCHEMBL3474766 | 0.76 | GRM2 (0.39) | — | |
| SCHEMBL3476138 | 0.76 | GRM2 (0.38) | — | |
| SCHEMBL3475817 | 0.75 | GRM2 (0.36) | — | |
| SCHEMBL3475915 | 0.75 | DYRK1A (0.35) | DYRK1ACLK1 | |
| SCHEMBL3475691 | 0.75 | CNR2 (0.38) | — |
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 |