Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | PLK1 | P53350 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.44 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18517038 | 0.85 | CYP2C19 (0.50) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2489374 | 0.84 | CYP2C19 (0.49) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2488807 | 0.82 | CYP2C19 (0.50) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL21226008 | 0.82 | CYP2C19 (0.50) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2890931 | 0.81 | KCNH2 (0.50) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2492296 | 0.78 | CYP2C19 (0.69) | CYP2C19KCNH2 | |
| SCHEMBL1752706 | 0.77 | CYP2C19 (0.74) | CYP2C19KCNH2 | |
| SCHEMBL2488290 | 0.77 | CYP2C19 (0.67) | CYP2C19KCNH2 | |
| SCHEMBL20357794 | 0.76 | CYP2C19 (0.66) | CYP2C19KCNH2MEN1KMT2A | |
| SCHEMBL6121418 | 0.76 | PLK1 (0.47) | CYP2C19PLK1KCNH2CYP3A4ALDH1A1 |
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-2012085654-A1 | NOVEL ANTI-TUBERCULOSIS AGENTS | THE UNIVERSITY OF QUEENSLAND (AU) | 2012-06-28 | — | — | WO | disclosed |