Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 7/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL856491 | 0.89 | NCF1 (0.47) | BCHEGNAI3GNAO1GNAI1NCF1 | |
| SCHEMBL2425235 | 0.89 | DRD2 (0.47) | NCF1 | |
| SCHEMBL27281617 | 0.85 | BCHE (0.47) | BCHE | |
| Fluoride SCHEMBL30330735 | 0.84 | BCHE (0.46) | BCHE | |
| SCHEMBL16341416 | 0.84 | BCHE (0.46) | BCHEBACE1 | |
| SCHEMBL5119116 | 0.84 | GNAO1 (0.53) | BCHEGNAI3GNAO1GNAI1NCF1 | |
| SCHEMBL2433914 | 0.82 | BCHE (0.49) | BCHE | |
| Hydrochloric Acid SCHEMBL30212680 | 0.82 | BCHE (0.45) | BCHEBACE1GNAO1 | |
| Fluoride SCHEMBL29253011 | 0.82 | CYP1A2 (0.48) | BCHEBACE1 | |
| SCHEMBL2433913 | 0.82 | BCHE (0.49) | BCHE |
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 |