Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.32 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL988657 | 0.92 | NPC1 (0.35) | PPARAALDH1A1NPC1CLK1RAB9A | |
| Hydrochloric Acid SCHEMBL1516924 | 0.88 | PPARA (0.33) | PPARAMAOBPRMT5WDR77 | |
| SCHEMBL988984 | 0.84 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AHPGDNPSR1 | |
| SCHEMBL988493 | 0.84 | PRMT5 (0.35) | PPARAMAOBPRMT5WDR77MAPT | |
| SCHEMBL15200679 | 0.83 | CHRM5 (0.35) | ALDH1A1MEN1KMT2AHPGDNPSR1 | |
| SCHEMBL1516817 | 0.83 | PRMT5 (0.34) | PPARAMAOBPRMT5WDR77MAPT | |
| SCHEMBL1516787 | 0.83 | PRMT5 (0.34) | PPARAMAOBPRMT5WDR77MEN1 | |
| SCHEMBL1517887 | 0.81 | NPY5R (0.40) | ALDH1A1NPC1CLK1RAB9ANPSR1 | |
| SCHEMBL1516834 | 0.81 | PRMT5 (0.34) | PPARAMAOBPRMT5WDR77 | |
| SCHEMBL4061855 | 0.81 | LMNA (0.34) | PPARAMAOBPRMT5WDR77NPC1 |
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-2483277-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011036284-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| 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 |