Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.91 |
| ▸ | GSK3A | P49840 | 10/20 | 0.91 |
| ▸ | HTT | P42858 | 5/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.71 |
| ▸ | NPC1 | O15118 | 3/20 | 0.71 |
| ▸ | RAB9A | P51151 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | EGFR | P00533 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | AURKA | O14965 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.61 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL14604069 | 0.95 | GSK3B (1.00) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16944471 | 0.93 | GSK3B (0.95) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16157061 | 0.92 | GSK3A (0.75) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL14604409 | 0.91 | GSK3B (1.00) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16157036 | 0.89 | EGFR (0.79) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16944450 | 0.86 | GSK3B (0.78) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL5024067 | 0.84 | GSK3B (1.00) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16157157 | 0.84 | GSK3B (0.89) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16157092 | 0.84 | EGFR (0.88) | GSK3BGSK3AHTTMAPK1NPC1 | |
| SCHEMBL16944461 | 0.84 | NPC1 (0.79) | GSK3BGSK3AHTTMAPK1NPC1 |
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-2013007663-A1 | 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF | Technische Universität Darmstadt (DE) | 2013-01-17 | — | — | WO | claimed |