Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | PTPRF | P10586 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013646 | 0.80 | ROCK2 (0.47) | ROCK2HSP90AA1HSP90AB1EPHX2PTPRC | |
| SCHEMBL29470914 | 0.80 | ROCK2 (0.47) | ROCK2HSP90AA1HSP90AB1EPHX2PTPRC | |
| SCHEMBL26981251 | 0.78 | ROCK2 (0.46) | ROCK2PTPRCPTPRFPTPN1CDC25B | |
| SCHEMBL161475 | 0.77 | ROCK2 (0.43) | ROCK2HSP90AA1HSP90AB1 | |
| SCHEMBL29073845 | 0.76 | ROCK2 (0.50) | ROCK2PDK2PTPRCPTPRFPTPN1 | |
| SCHEMBL14663496 | 0.76 | ROCK2 (0.41) | ROCK2EPHX2 | |
| SCHEMBL21044754 | 0.75 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL12493327 | 0.73 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL28005452 | 0.73 | ROCK2 (0.39) | ROCK2APPEPHX2 | |
| SCHEMBL5667630 | 0.71 | KMO (0.49) | ROCK2KMOHDAC4HDAC2HDAC8 |
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-108026080-A | Pyrazolyl-substituted heteroaryl compounds and their use as medicaments | 勃林格殷格翰国际有限公司 | 2018-05-11 | — | — | CN | disclosed |