Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13641704 | 0.85 | HCRTR2 (0.48) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL15314948 | 0.83 | HCRTR2 (0.49) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL25970649 | 0.79 | HCRTR2 (0.46) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL24485357 | 0.79 | HCRTR2 (0.46) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL21937632 | 0.78 | HCRTR2 (0.49) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL18415409 | 0.77 | HCRTR2 (0.58) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL25785532 | 0.77 | HCRTR2 (0.45) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL8254697 | 0.77 | HCRTR2 (0.42) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL18655777 | 0.75 | HCRTR2 (0.44) | HCRTR2CA12CA1CA2CA9 | |
| SCHEMBL12070264 | 0.75 | HCRTR2 (0.43) | HCRTR2CA12CA1CA2CA9 |
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-2017045510-A1 | Β-LACTAMASE INHIBITOR AND APPLICATION THEREOF | 山东轩竹医药科技有限公司 | 2017-03-23 | — | — | WO | disclosed |