Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL990776 | 0.62 | PIK3CA (0.38) | PIK3CAAAK1 | |
| SCHEMBL10190925 | 0.59 | SSTR4 (0.49) | — | |
| SCHEMBL18886130 | 0.59 | SSTR4 (0.49) | — | |
| SCHEMBL18886135 | 0.59 | SSTR4 (0.49) | — | |
| SCHEMBL24867531 | 0.58 | MAP3K14 (0.46) | — | |
| SCHEMBL990082 | 0.58 | MAP3K14 (0.39) | PIK3CA | |
| SCHEMBL21305250 | 0.57 | — | — | |
| SCHEMBL24540242 | 0.56 | CYP3A4 (0.49) | — | |
| SCHEMBL21305220 | 0.55 | CNR2 (0.32) | — | |
| SCHEMBL16252873 | 0.54 | SSTR4 (0.47) | — |
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-2276767-A1 | BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009123971-A1 | BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2009-10-08 | — | — | WO | disclosed |