Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | USP19 | O94966 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162427 | 0.85 | CYP11B1 (0.36) | CYP11B1CYP11B2HSP90AA1HSP90AB1PRCP | |
| SCHEMBL20162458 | 0.84 | CYP11B1 (0.38) | CYP11B1CYP11B2HSP90AA1HSP90AB1PRCP | |
| SCHEMBL20162457 | 0.71 | IDO1 (0.42) | CYP11B1CYP11B2PRCPIDO1CYP3A4 | |
| SCHEMBL16719008 | 0.69 | FKBP1A (0.44) | CYP11B2HSP90AA1HSP90AB1IDO1CYP3A4 | |
| SCHEMBL18128804 | 0.69 | FKBP1A (0.44) | CYP11B2HSP90AA1HSP90AB1IDO1CYP3A4 | |
| SCHEMBL16730826 | 0.69 | HSP90AA1 (0.46) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL16730879 | 0.68 | IDO1 (0.42) | CYP11B2HSP90AA1HSP90AB1IDO1CYP3A4 | |
| SCHEMBL18128805 | 0.68 | CYP11B2 (0.46) | CYP11B1CYP11B2IDO1CYP3A4CYP2D6 | |
| SCHEMBL16730886 | 0.68 | CYP11B2 (0.46) | CYP11B1CYP11B2IDO1CYP3A4CYP2D6 | |
| SCHEMBL16730887 | 0.67 | IDO1 (0.42) | CYP11B1CYP11B2IDO1CYP3A4CYP2D6 |
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 | claimed |