Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 8/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3476302 | 0.79 | BRD4 (0.35) | GRM2 | |
| SCHEMBL3474766 | 0.79 | GRM2 (0.39) | GRM2 | |
| SCHEMBL3476520 | 0.78 | RAB9A (0.41) | DYRK1AARADORA2AADORA1 | |
| SCHEMBL3475706 | 0.78 | TRPA1 (0.44) | DYRK1A | |
| SCHEMBL3475915 | 0.78 | DYRK1A (0.35) | DYRK1AGRM2ADORA2A | |
| SCHEMBL7819300 | 0.77 | GRM2 (0.39) | GRM2 | |
| SCHEMBL3476662 | 0.77 | GRM2 (0.35) | DYRK1AGRM2ADORA2A | |
| SCHEMBL3474988 | 0.76 | GRM2 (0.35) | GRM2KCNH2 | |
| SCHEMBL3475817 | 0.76 | GRM2 (0.36) | GRM2 | |
| SCHEMBL3475357 | 0.75 | GRM2 (0.43) | 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 1 patent. 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 | disclosed |