Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 6/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5766014 | 0.91 | CHRM3 (0.41) | SLC40A1KCNH2 | |
| SCHEMBL14573148 | 0.91 | KCNH2 (0.47) | SLC40A1KCNH2SLC2A1 | |
| SCHEMBL5657252 | 0.88 | SLC40A1 (0.37) | SLC40A1PARP1KCNH2SLC2A1DRD2 | |
| SCHEMBL5765657 | 0.81 | KCNH2 (0.47) | SLC40A1KCNH2SLC2A1 | |
| SCHEMBL6661601 | 0.77 | KCNH2 (0.45) | SLC40A1KCNH2SLC2A1 | |
| SCHEMBL5774180 | 0.77 | KCNH2 (0.42) | SLC40A1KCNH2SLC2A1 | |
| SCHEMBL5657093 | 0.73 | CHRNA7 (0.47) | SLC40A1PARP1DRD2 | |
| SCHEMBL5656451 | 0.70 | KDM4E (0.53) | SLC40A1 | |
| SCHEMBL6214270 | 0.69 | KCNH2 (0.51) | KCNH2 | |
| SCHEMBL14573150 | 0.69 | KCNH2 (0.51) | KCNH2 |
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-7186730-B2 | Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2007-03-06 | — | — | US | disclosed |