Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 14/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | TDO2 | P48775 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16730886 | 0.85 | CYP11B2 (0.46) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL18128805 | 0.85 | CYP11B2 (0.46) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL20162457 | 0.82 | IDO1 (0.42) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL16730887 | 0.82 | IDO1 (0.42) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL20170510 | 0.81 | CYP11B2 (0.42) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL16730879 | 0.80 | IDO1 (0.42) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL18128804 | 0.80 | FKBP1A (0.44) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL16719008 | 0.80 | FKBP1A (0.44) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL16719057 | 0.79 | CYP11B2 (0.41) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 | |
| SCHEMBL18128796 | 0.79 | CYP11B2 (0.41) | IDO1CYP3A4CYP2D6CYP2B6CYP11B2 |
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 |