Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HK1 | P19367 | 1/20 | 0.47 |
| ▸ | HK2 | P52789 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16027549 | 1.00 | HK1 (0.47) | HK1HK2CYP1A2NFKB1THPO | |
| SCHEMBL16027547 | 1.00 | HK1 (0.47) | HK1HK2CYP1A2NFKB1THPO | |
| SCHEMBL12476327 | 0.92 | — | — | |
| SCHEMBL14120136 | 0.92 | — | — | |
| SCHEMBL20056372 | 0.92 | — | — | |
| SCHEMBL19386150 | 0.92 | — | — | |
| SCHEMBL16267883 | 0.92 | — | — | |
| SCHEMBL14120639 | 0.92 | — | — | |
| SCHEMBL16267885 | 0.92 | — | — | |
| SCHEMBL14210382 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970353-B1 | MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS | VERTEX PHARMA (US) | 2018-04-18 | — | — | EP | disclosed |