Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CD38 | P28907 | 4/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3647403 | 0.84 | PARP1 (0.44) | ALDH1A1LMNAADAMTS5NPC1RAB9A | |
| SCHEMBL2713187 | 0.74 | PIK3CB (0.37) | ALDH1A1ADAMTS5GPR52NPC1RAB9A | |
| SCHEMBL7134588 | 0.74 | TSHR (0.54) | ALDH1A1NPC1RAB9AKDM4EGAA | |
| SCHEMBL2706854 | 0.73 | TGFBR1 (0.51) | ALDH1A1LMNANPC1RAB9AKDM4E | |
| SCHEMBL3641650 | 0.72 | RAB9A (0.45) | ALDH1A1ADAMTS5NPC1RAB9AKDM4E | |
| SCHEMBL3507208 | 0.72 | RAB9A (0.50) | ALDH1A1NPC1RAB9AKDM4ETP53 | |
| SCHEMBL3644511 | 0.72 | CHUK (0.45) | ADAMTS5PARP1 | |
| SCHEMBL3646709 | 0.71 | MKNK1 (0.50) | LMNAADAMTS5PARP1 | |
| SCHEMBL19590951 | 0.70 | SMN1; SMN2 (0.48) | ALDH1A1ADAMTS5NPC1RAB9AKDM4E | |
| SCHEMBL2056290 | 0.70 | HDAC1 (0.51) | ALDH1A1LMNAADAMTS5NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |