Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 7/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | KRAS | P01116 | 3/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL14992603 | 0.85 | AR (0.45) | KCNN4DRD3KCNH2MAPK14AR | |
| SCHEMBL10146326 | 0.79 | PIK3CA (0.42) | MAPK14ADORA2A | |
| SCHEMBL10145950 | 0.74 | MAPK14 (0.53) | MAPK14 | |
| SCHEMBL14992236 | 0.70 | AR (0.47) | MAPK14AR | |
| SCHEMBL10146676 | 0.69 | GRM2 (0.47) | MAPK14 | |
| SCHEMBL398678 | 0.68 | ADORA2A (0.54) | ADORA2A | |
| SCHEMBL10146672 | 0.67 | PARG (0.46) | MAPK14ADORA2A | |
| SCHEMBL10146668 | 0.67 | GRM2 (0.70) | — | |
| SCHEMBL10145948 | 0.67 | GRM2 (0.49) | MAPK14ADORA2A | |
| SCHEMBL10145941 | 0.65 | GRM2 (0.47) | MAPK14 |
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-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |