Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 5/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 4/20 | 0.35 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.35 |
| ▸ | FECH | P22830 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3781768 | 0.85 | AKT1 (0.39) | MEN1KMT2AAKT1PSMB5CYP3A4 | |
| SCHEMBL3785540 | 0.85 | AKT1 (0.39) | AKT1ADORA2AADORA1PSMB5CYP3A4 | |
| SCHEMBL3791389 | 0.82 | AKT1 (0.40) | MEN1KMT2AAKT1ADORA2AADORA1 | |
| SCHEMBL3784817 | 0.82 | DHODH (0.41) | MEN1KMT2AAKT1ADORA2AADORA1 | |
| SCHEMBL1352472 | 0.80 | AKT1 (0.66) | AKT1AKT2AKT3FECH | |
| SCHEMBL3788472 | 0.80 | DHODH (0.40) | MEN1KMT2AAKT1ADORA2AADORA1 | |
| SCHEMBL3776186 | 0.79 | ADORA1 (0.37) | MEN1KMT2AAKT1ADORA2AADORA1 | |
| SCHEMBL3708605 | 0.78 | GSK3A (0.36) | MEN1KMT2AAKT1ADORA2AADORA1 | |
| SCHEMBL3708607 | 0.78 | AKT1 (0.46) | AKT1AKT2AKT3FECH | |
| SCHEMBL3852775 | 0.76 | DHODH (0.41) | AKT1ADORA1EGFRMAPK14AKT2 |
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 |