Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 7/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL17956627 | 1.00 | NR3C2 (0.37) | NR3C2NR3C1GAAKCNH2MEN1 | |
| SCHEMBL17956615 | 0.88 | NR3C2 (0.39) | NR3C2NR3C1KCNH2MAPT | |
| SCHEMBL17956616 | 0.88 | NR3C2 (0.39) | NR3C2NR3C1KCNH2MAPT | |
| SCHEMBL17956632 | 0.77 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL17956631 | 0.77 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL17956618 | 0.75 | THRB (0.36) | NR3C2NR3C1KCNH2POLBPKM | |
| SCHEMBL19629923 | 0.74 | NR3C2 (0.43) | NR3C2NR3C1GAAKCNH2PKM | |
| SCHEMBL17956669 | 0.74 | KCNH2 (0.34) | NR3C2KCNH2 | |
| SCHEMBL17956670 | 0.74 | KCNH2 (0.34) | NR3C2KCNH2 | |
| SCHEMBL17963622 | 0.72 | — | — |
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-3050888-A1 | Compounds for the treatment of bacterial infections | Merck Sharp & Dohme Corp. (US) | 2016-08-03 | — | — | EP | disclosed |