Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12679228 | 0.85 | CYP3A4 (0.53) | CYP3A4TP53KMT2ANAMPT | |
| SCHEMBL4336440 | 0.82 | CYP2D6 (0.41) | CYP3A4KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4384602 | 0.82 | CYP3A4 (0.53) | CYP3A4POLBALOX15ALDH1A1ECE1 | |
| SCHEMBL4583413 | 0.82 | KMT2A (0.50) | CYP3A4TP53KMT2ACYP2D6CYP2C9 | |
| SCHEMBL4379672 | 0.78 | KMT2A (0.43) | CYP3A4KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4381682 | 0.76 | KMT2A (0.43) | CYP3A4KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5551458 | 0.75 | PLA2G1B (0.47) | CYP3A4KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12336762 | 0.72 | ATM (0.60) | CYP3A4 | |
| SCHEMBL4900744 | 0.72 | ATM (0.60) | CYP3A4 | |
| SCHEMBL4898325 | 0.72 | ATM (0.60) | CYP3A4 |
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-2117523-A1 | INHIBITORS OF AKT ACTIVITY | SmithKline Beecham Corporation (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008098104-A1 | INHIBITORS OF AKT ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2008-08-14 | — | — | WO | disclosed |