Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16996868 | 0.84 | NPC1 (0.52) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL857446 | 0.75 | NPC1 (0.56) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL859136 | 0.75 | NPC1 (0.53) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL855353 | 0.74 | NPC1 (0.56) | NPC1KMT2AMEN1ALDH1A1HSD17B10 | |
| SCHEMBL856675 | 0.74 | NPC1 (0.59) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL16461641 | 0.74 | NPC1 (0.49) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL27799005 | 0.74 | NPC1 (0.51) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL393051 | 0.73 | KMT2A (0.57) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL856801 | 0.72 | NPC1 (0.45) | NPC1KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL857534 | 0.72 | NPC1 (0.45) | NPC1KMT2AMEN1ALDH1A1KDM4E |
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-2643317-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071519-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |