Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 6/20 | 0.36 |
| ▸ | MMP12 | P39900 | 5/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4544057 | 0.92 | ULK1 (0.39) | MAPK1AKT1ALDH1A1 | |
| SCHEMBL4544087 | 0.92 | AKT1 (0.39) | MAPK1AKT1 | |
| SCHEMBL4543472 | 0.89 | MAPK1 (0.37) | MAPK1AKT1 | |
| SCHEMBL4540065 | 0.83 | AKT1 (0.45) | MAPK1AKT1 | |
| SCHEMBL4541583 | 0.83 | ITGB1 (0.38) | MAPK1MMP12MMP13MMP3MMP9 | |
| SCHEMBL14114794 | 0.82 | ROCK2 (0.43) | MAPK1MMP12MMP13MMP3MMP9 | |
| SCHEMBL1529621 | 0.82 | ROCK2 (0.43) | MAPK1MMP12MMP13MMP3MMP9 | |
| SCHEMBL1530071 | 0.79 | MAPK1 (0.35) | MAPK1MMP12MMP13MMP3MMP9 | |
| SCHEMBL1530069 | 0.79 | MAPK1 (0.35) | MAPK1MMP12MMP13MMP3MMP9 | |
| SCHEMBL4583485 | 0.79 | ALDH1A1 (0.47) | HPGDSALDH1A1HPGDCTSL |
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 |