Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | PRCP | P42785 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | USP19 | O94966 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL20162426 | 0.85 | CYP11B1 (0.36) | CYP11B1CYP11B2IDO1PRCPGPBAR1 | |
| SCHEMBL20162423 | 0.77 | PIM1 (0.42) | IDO1HSP90AA1HSP90AB1CYP3A4 | |
| SCHEMBL20162458 | 0.72 | CYP11B1 (0.38) | CYP11B1CYP11B2PRCPHSP90AA1HSP90AB1 | |
| SCHEMBL20162457 | 0.71 | IDO1 (0.42) | CYP11B1CYP11B2IDO1PRCPOPRM1 | |
| SCHEMBL21619228 | 0.70 | HSD11B1 (0.39) | OPRM1 | |
| SCHEMBL16730872 | 0.69 | IDO1 (0.44) | CYP11B2IDO1CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL18128805 | 0.68 | CYP11B2 (0.46) | CYP11B1CYP11B2IDO1CYP3A4CYP2D6 | |
| SCHEMBL16730886 | 0.68 | CYP11B2 (0.46) | CYP11B1CYP11B2IDO1CYP3A4CYP2D6 | |
| SCHEMBL16730887 | 0.67 | IDO1 (0.42) | CYP11B1CYP11B2IDO1GPBAR1CYP3A4 | |
| SCHEMBL3313722 | 0.66 | NPSR1 (0.35) | — |
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 |