Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 17/20 | 0.53 |
| ▸ | AKT2 | P31751 | 16/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12759252 | 0.87 | AKT1 (0.51) | AKT1AKT2KCNH2 | |
| SCHEMBL12759248 | 0.80 | AKT1 (0.68) | AKT1AKT2KCNH2 | |
| SCHEMBL14817717 | 0.79 | AKT1 (0.49) | AKT1AKT2KCNH2 | |
| SCHEMBL13869100 | 0.78 | HRH3 (0.65) | KCNH2HRH3ACHE | |
| SCHEMBL13478821 | 0.77 | ACHE (0.57) | AKT1AKT2HRH3ACHE | |
| SCHEMBL25735879 | 0.76 | AKT1 (0.61) | AKT1AKT2 | |
| SCHEMBL3784817 | 0.76 | DHODH (0.41) | AKT1AKT2KCNH2 | |
| SCHEMBL2285074 | 0.74 | AKT1 (0.56) | AKT1AKT2KCNH2 | |
| SCHEMBL12370918 | 0.74 | HRH3 (0.56) | KCNH2HRH3ACHE | |
| SCHEMBL3784812 | 0.74 | MEN1 (0.40) | AKT1AKT2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7910561-B2 | Cancer; such as 3-phenyl-2-(4-{[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)-1,6-naphthyridin-5(6H)-one; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, greater selectivity, enhanced pharmacokinetic properties, lack of off target activity | MERCK SHARP & DOHME CORP. (US) | 2011-03-22 | — | — | US | disclosed |