Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 11/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | 0.82 | CYP2A6 (0.52) | KIF11CYP2A6CYP2A13ALDH1A1ALDH3A1 | |
| SCHEMBL17504171 | 0.81 | PDK2 (0.46) | KIF11KDM1A | |
| SCHEMBL29438427 | 0.78 | KIF11 (0.73) | KIF11ALDH1A1AKR1C3AKR1C2KDM1A | |
| SCHEMBL48409 | 0.78 | KIF11 (0.73) | KIF11ALDH1A1AKR1C3AKR1C2KDM1A | |
| SCHEMBL17508180 | 0.77 | CYP2A6 (0.53) | KIF11CYP2A6CYP2A13ALDH1A1ALDH3A1 | |
| SCHEMBL8189337 | 0.76 | CYP2A6 (0.73) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL24687543 | 0.75 | AR (0.46) | KIF11ALDH1A1KCNH2KDM1A | |
| SCHEMBL17508297 | 0.74 | CYP2A6 (0.46) | KIF11CYP2A6CYP2A13ALDH1A1ALDH3A1 | |
| SCHEMBL17508247 | 0.74 | CYP2A6 (0.53) | KIF11CYP2A6CYP2A13ALDH1A1ALDH3A1 | |
| SCHEMBL17508235 | 0.73 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 |
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 |