Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258051 | 0.86 | MAPT (0.36) | KDM4EALDH1A1GAAHPGDCYP2D6 | |
| SCHEMBL5258611 | 0.85 | KDM4E (0.40) | ADRB2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL5255703 | 0.85 | NAMPT (0.40) | ADRB2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL5257925 | 0.84 | ADRB2 (0.40) | ADRB2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL5310455 | 0.73 | TACR1 (0.47) | ADRB2CYP1A2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL5258352 | 0.67 | DRD2 (0.64) | — | |
| SCHEMBL5258356 | 0.67 | DRD2 (0.64) | — | |
| SCHEMBL4251691 | 0.66 | PIK3CD (0.50) | — | |
| SCHEMBL5167704 | 0.64 | SMN1; SMN2 (0.39) | ADRB2ALDH1A1HPGDCYP3A4CYP2C9 | |
| SCHEMBL6122137 | 0.63 | NAMPT (0.57) | NAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496896-A4 | INHIBITORS OF AKT ACTIVITY | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | claimed |
| EP-1496896-A1 | INHIBITORS OF AKT ACTIVITY | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2003086394-A1 | INHIBITORS OF AKT ACTIVITY | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | claimed |