Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16856591 | 0.90 | AURKA (0.47) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL20204195 | 0.90 | AURKA (0.47) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL20204198 | 0.88 | AURKA (0.46) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL18179951 | 0.88 | AURKA (0.46) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL2367233 | 0.85 | SLC7A5 (0.64) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL3050840 | 0.85 | SLC7A5 (0.64) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| Trifluoroacetic Acid SCHEMBL29643011 | 0.85 | PDK1 (0.46) | AURKARPS6KB1SLC7A5NOS3NOS1 | |
| SCHEMBL4184785 | 0.84 | CYP17A1 (0.52) | AURKARPS6KB1HDAC1HDAC3HDAC8 | |
| SCHEMBL29969056 | 0.84 | AURKA (0.52) | AURKARPS6KB1SIRT2HDAC1HDAC3 | |
| SCHEMBL165660 | 0.84 | AURKA (0.52) | AURKARPS6KB1SIRT2HDAC1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9988420-B2 | Cytotoxic peptides and conjugates thereof | NOVARTIS AG (CH) | 2018-06-05 | — | — | US | disclosed |