Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 3/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 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 | |
|---|---|---|---|---|
| SCHEMBL538716 | 0.93 | AKT1 (0.41) | AKT1MAPTKDM4EALDH1A1LMNA | |
| SCHEMBL538092 | 0.92 | ADORA1 (0.39) | ADORA2AAKT1MAPTKDM4EHTT | |
| SCHEMBL538827 | 0.85 | ALOX5 (0.45) | MAPTRXFP1KDM4EALDH1A1HPGD | |
| SCHEMBL538943 | 0.78 | AKT1 (0.64) | AKT1AKT2 | |
| SCHEMBL538545 | 0.75 | AKT1 (0.38) | ADORA2AAKT1MAPTADORA3AKT2 | |
| SCHEMBL539284 | 0.74 | MEN1 (0.47) | AKT1MAPTALDH1A1AKT2PIM1 | |
| SCHEMBL538266 | 0.73 | AKT1 (0.40) | ADORA2AAKT1MAPTADORA3KDM4E | |
| SCHEMBL538833 | 0.71 | AKT1 (0.37) | AKT1ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL868195 | 0.70 | AKT1 (0.67) | AKT1AKT2 | |
| SCHEMBL538122 | 0.69 | ALOX5 (0.43) | ADORA2AAKT1MAPTADORA3ALDH1A1 |
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-2413932-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114780-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |