Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL17508169 | 0.84 | CYP17A1 (0.44) | KMT2AKIF11ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL3976211 | 0.80 | CYP2A6 (0.52) | KMT2AALDH1A1CYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL9607165 | 0.79 | KMT2A (0.61) | KMT2AALDH1A1CYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL16105658 | 0.78 | CES2 (0.39) | MAOB | |
| SCHEMBL12889505 | 0.75 | CYP1A2 (0.41) | ALDH1A1CYP2A6MAPTMAOB | |
| SCHEMBL16037967 | 0.75 | KIF11 (0.59) | KIF11ALDH1A1CYP2A6HSD17B10ALDH5A1 | |
| SCHEMBL17508154 | 0.75 | KMT2A (0.41) | KMT2AKIF11ALDH1A1CYP2A6HSD17B10 | |
| SCHEMBL18351321 | 0.74 | CYP17A1 (0.40) | ALDH1A1MAOAMAOB | |
| SCHEMBL7239271 | 0.74 | LTA4H (0.35) | TUBB1 | |
| SCHEMBL17508269 | 0.73 | CYP2A6 (0.54) | KMT2AALDH1A1CYP2A6HSD17B10ALDH5A1 |
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 |