Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL538716 | 0.95 | AKT1 (0.41) | AKT1AKT2ALOX5KDM4EMEN1 | |
| SCHEMBL538827 | 0.92 | ALOX5 (0.45) | NPC1RAB9AALOX5KDM4EMEN1 | |
| SCHEMBL538707 | 0.92 | MAP4K4 (0.42) | ADORA1AKT1AKT2KDM4EMEN1 | |
| SCHEMBL539284 | 0.81 | MEN1 (0.47) | ADORA1AKT1AKT2NPC1RAB9A | |
| SCHEMBL538266 | 0.80 | AKT1 (0.40) | ADORA1AKT1AKT2NPC1RAB9A | |
| SCHEMBL538545 | 0.77 | AKT1 (0.38) | ADORA1AKT1AKT2MAPTADORA2A | |
| SCHEMBL538833 | 0.77 | AKT1 (0.37) | AKT1NPC1RAB9AALOX5MEN1 | |
| SCHEMBL538122 | 0.75 | ALOX5 (0.43) | ADORA1AKT1AKT2ALOX5MAPT | |
| SCHEMBL538528 | 0.75 | ADORA3 (0.40) | ADORA1AKT1AKT2NPC1RAB9A | |
| SCHEMBL866153 | 0.74 | AKT1 (0.68) | 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 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 | claimed |
| WO-2010114780-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | claimed |