Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5369120 | 1.00 | NR1H2 (0.54) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL6099695 | 0.94 | NR1H2 (0.58) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL8448438 | 0.94 | NR1H2 (0.58) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL8229118 | 0.92 | NR1H2 (0.54) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL3495123 | 0.92 | NR1H2 (0.54) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL3506136 | 0.92 | NR1H2 (0.54) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL13705076 | 0.91 | NR1H2 (0.53) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL5378968 | 0.89 | LMNA (0.53) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL6098997 | 0.89 | NR1H2 (0.52) | NR1H2NR1H3CA1CA2CA4 | |
| SCHEMBL3506688 | 0.88 | NR1H2 (0.51) | NR1H2NR1H3CA1CA2CA4 |
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-7094779-B2 | Piperazine oxime dervatives having NK-1 receptor antagonistic activity | SOLVAY PHARMACEUTICALS B.V. (NL) | 2006-08-22 | — | — | US | disclosed |