Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL856630 | 0.75 | HSD17B10 (0.40) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL857496 | 0.75 | HSD17B10 (0.42) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL857743 | 0.74 | HSD17B10 (0.41) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL857744 | 0.74 | HSD17B10 (0.41) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL859334 | 0.74 | HSD17B10 (0.41) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL856187 | 0.72 | HSD17B10 (0.40) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL6119755 | 0.69 | NPC1 (0.48) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL855761 | 0.65 | HSD17B10 (0.55) | HSD17B10KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL856502 | 0.65 | HSD17B10 (0.76) | HSD17B10KDM4EKMT2AGAA | |
| SCHEMBL1770679 | 0.65 | — | — |
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 |