Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ECE1 | P42892 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14114760 | 0.86 | CYP3A4 (0.52) | CYP3A4ALOX15TSHRMAPTMAPK1 | |
| SCHEMBL4073213 | 0.84 | CYP3A4 (0.61) | CYP3A4ALOX15TSHRMAPK1ALDH1A1 | |
| SCHEMBL4583554 | 0.84 | CYP3A4 (0.61) | CYP3A4ALOX15TSHRMAPK1ALDH1A1 | |
| SCHEMBL4374776 | 0.82 | CYP3A4 (0.48) | CYP3A4ALOX15ECE1ALDH1A1POLB | |
| SCHEMBL3842905 | 0.81 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL6025195 | 0.81 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL1541816 | 0.81 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL6192467 | 0.80 | ACACB (0.48) | CYP3A4MAPK1ECE1ALDH1A1TBXAS1 | |
| SCHEMBL27503053 | 0.80 | ACACB (0.48) | CYP3A4MAPK1ECE1ALDH1A1TBXAS1 | |
| SCHEMBL8928262 | 0.79 | ECE1 (0.52) | CYP3A4MAPK1ECE1HPGDTBXAS1 |
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 |