Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16719021 | 0.89 | — | — | |
| SCHEMBL20170514 | 0.87 | KCNH2 (0.32) | ATRKCNH2HRH3 | |
| SCHEMBL18128794 | 0.84 | POLB (0.34) | KCNH2 | |
| SCHEMBL20169605 | 0.83 | CYP11B2 (0.33) | ATR | |
| SCHEMBL20170406 | 0.83 | CYP11B2 (0.33) | ATR | |
| SCHEMBL20170477 | 0.80 | SCN9A (0.31) | — | |
| SCHEMBL16730869 | 0.80 | CYP11B1 (0.35) | — | |
| SCHEMBL16730866 | 0.79 | CYP11B1 (0.35) | — | |
| SCHEMBL16719037 | 0.76 | HSP90AA1 (0.32) | — | |
| SCHEMBL16719040 | 0.76 | HSP90AA1 (0.32) | — |
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-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |