Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17508150 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13338140 | 0.80 | APP (0.39) | APP | |
| SCHEMBL17508268 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8189337 | 0.77 | CYP2A6 (0.73) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13338148 | 0.76 | DHFR (0.33) | KCNH2 | |
| SCHEMBL17508247 | 0.75 | CYP2A6 (0.53) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13338174 | 0.73 | CHKA (0.45) | ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL17508292 | 0.71 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508235 | 0.71 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508237 | 0.71 | KIF11 (0.60) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |