Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 5/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8111070 | 0.87 | HDAC8 (0.43) | HDAC8HDAC6PARP1ERN1PTPN1 | |
| SCHEMBL30285753 | 0.85 | DHODH (0.49) | HDAC8HDAC6 | |
| SCHEMBL5849837 | 0.81 | HDAC8 (0.66) | HDAC8HDAC6PARP1MKNK1MKNK2 | |
| SCHEMBL15603374 | 0.81 | SLC9A1 (0.64) | HDAC8HDAC6SLC9A1 | |
| SCHEMBL27987578 | 0.80 | KDM4E (0.56) | HDAC8HDAC6PARP1ALDH1A1KDM4E | |
| SCHEMBL10993305 | 0.79 | KDM4E (0.56) | PARP1ALDH1A1KDM4EGAANPC1 | |
| SCHEMBL29826830 | 0.79 | GRM2 (0.54) | LCKMKNK1MKNK2 | |
| SCHEMBL30737381 | 0.79 | PLAU (0.56) | PARP1ERN1PTPN1LCKSLC9A1 | |
| SCHEMBL6384957 | 0.79 | ALDH1A1 (0.62) | PARP1PTPN1LCKSLC9A1ALDH1A1 | |
| SCHEMBL13045132 | 0.79 | PARP1 (0.50) | PARP1ERN1PTPN1LCKSLC9A1 |
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 |