Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL3776188 | 0.84 | RAF1 (0.38) | ADORA1ADORA2AGSK3AGSK3BCDK2 | |
| SCHEMBL3784812 | 0.79 | MEN1 (0.40) | ADORA1ADORA2AGSK3AGSK3BCDK2 | |
| SCHEMBL3789036 | 0.78 | AKT1 (0.41) | AKT1 | |
| SCHEMBL1352355 | 0.75 | AKT1 (0.38) | AKT1 | |
| SCHEMBL1352201 | 0.74 | AKT1 (0.34) | ADKAKT1MEN1KMT2A | |
| SCHEMBL12133126 | 0.73 | AKT1 (0.46) | AKT1 | |
| SCHEMBL12132986 | 0.72 | HDAC1 (0.48) | AKT1MEN1KMT2A | |
| SCHEMBL12133102 | 0.71 | ADORA1 (0.45) | ADORA1ADORA2ACYP3A4ADKAKT1 | |
| SCHEMBL1352220 | 0.71 | ADORA1 (0.48) | ADORA1ADORA2AGSK3AGSK3BCDK2 | |
| SCHEMBL3781768 | 0.69 | AKT1 (0.39) | CYP3A4ADKAKT1CYP2C9MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |