Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29420360 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL694262 | 0.88 | HDAC3 (0.49) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL13801959 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL27498370 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL30844047 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL13623152 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL7156537 | 0.85 | MGLL (0.52) | CYP3A4CYP2C19AURKARPS6KB1SIRT2 | |
| SCHEMBL31370757 | 0.84 | AURKA (0.50) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL6965973 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 | |
| SCHEMBL13735759 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C19HDAC6HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104470925-A | Imidazotriazinecarbonitriles useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2015-03-25 | — | — | CN | disclosed |