Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL855862 | 0.87 | ENPP1 (0.47) | EGFRERBB2TAAR1ENPP1KDM4E | |
| SCHEMBL855748 | 0.82 | MEN1 (0.43) | ENPP1KDM4ESMN1; SMN2 | |
| SCHEMBL5479186 | 0.79 | ALDH1A1 (0.46) | TAAR1ENPP1DAOSMN1; SMN2CLK4 | |
| SCHEMBL856035 | 0.74 | LMNA (0.41) | EGFRERBB2ENPP1SMN1; SMN2 | |
| SCHEMBL3371633 | 0.72 | TAAR1 (0.74) | TAAR1NR3C2SLC6A3DAOSMN1; SMN2 | |
| SCHEMBL857948 | 0.72 | ENPP1 (0.49) | TAAR1ENPP1KDM4ESMN1; SMN2 | |
| SCHEMBL857333 | 0.72 | ENPP1 (0.45) | TAAR1ENPP1KDM4EDAOSMN1; SMN2 | |
| SCHEMBL6931712 | 0.72 | TAAR1 (0.46) | TAAR1NR3C2KDM4ESLC6A3DAO | |
| SCHEMBL856234 | 0.71 | SMN1; SMN2 (0.53) | TAAR1ENPP1KDM4ESMN1; SMN2 | |
| SCHEMBL855865 | 0.71 | ALDH1A1 (0.39) | EGFRERBB2ENPP1DAOSMN1; SMN2 |
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 |