Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 11/20 | 0.42 |
| ▸ | AKT2 | P31751 | 9/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3785543 | 0.96 | RAF1 (0.41) | AKT1AKT2ADORA2AADORA1KCNH2 | |
| SCHEMBL3852779 | 0.87 | DHODH (0.45) | AKT1AKT2ADORA1DHODHRAF1 | |
| SCHEMBL3789199 | 0.85 | AKT1 (0.36) | AKT1AKT2ADORA2AADORA1KCNH2 | |
| SCHEMBL1352411 | 0.85 | CCNB2 (0.39) | AKT1AKT2KCNH2DHODHKDM4E | |
| SCHEMBL3788472 | 0.84 | DHODH (0.40) | AKT1AKT2ADORA2AADORA1DHODH | |
| SCHEMBL3781771 | 0.83 | DHODH (0.41) | AKT1AKT2ADORA2AADORA1KCNH2 | |
| SCHEMBL3784817 | 0.83 | DHODH (0.41) | AKT1AKT2ADORA2AADORA1KCNH2 | |
| SCHEMBL3785540 | 0.81 | AKT1 (0.39) | AKT1AKT2ADORA2AADORA1DHODH | |
| SCHEMBL3718194 | 0.81 | ADORA1 (0.45) | AKT1AKT2ADORA2AADORA1KCNH2 | |
| Methylamine SCHEMBL3784356 | 0.81 | KDM4E (0.49) | ADORA2AADORA1DHODHKDM4EPKM |
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 |