Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17280955 | 0.84 | ALDH1A1 (0.37) | PDK2ALDH1A1DCTPP1KDM4EGAA | |
| SCHEMBL4980998 | 0.83 | ALDH1A1 (0.39) | PDK2ALDH1A1DCTPP1KDM4EGAA | |
| SCHEMBL857094 | 0.82 | CYP1A2 (0.36) | PDK2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL12493933 | 0.81 | KDM4E (0.32) | PDK2ALDH1A1KDM4EHTT | |
| SCHEMBL22994717 | 0.79 | PDK2 (0.41) | PDK2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL30738986 | 0.79 | PDK2 (0.41) | PDK2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8515321 | 0.79 | NPSR1 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL4762749 | 0.78 | PDK2 (0.40) | PDK2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL12495762 | 0.77 | PDK2 (0.42) | PDK2ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL30648000 | 0.76 | LMNA (0.38) | ALDH1A1DCTPP1HPGDHTTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |