Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17508235 | 0.84 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL8189337 | 0.84 | CYP2A6 (0.73) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508150 | 0.80 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL12879930 | 0.77 | CA12 (0.38) | APPNTRK1NTRK3NTRK2 | |
| SCHEMBL11843859 | 0.76 | CYP2A6 (0.70) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL95663 | 0.76 | CYP2A6 (0.61) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508321 | 0.75 | CYP2A6 (0.50) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL231129 | 0.75 | HSD17B10 (0.67) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508180 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL17508237 | 0.74 | 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 |